3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide

C18H40N12O — CID 156662500

IUPAC3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCN(CCC/N=C(\N)N/C(N)=N/CCC/N=C(N)/N=C(/C)N)C(=O)CCN
InChIInChI=1S/C18H40N12O/c1-14(20)28-16(21)25-9-3-10-26-17(22)29-18(23)27-11-5-13-30(12-4-8-24-2)15(31)6-7-19/h24H,3-13,19H2,1-2H3,(H4,20,21,25,28)(H5,22,23,26,27,29)
InChIKeyFAHSNPLSIBIQMK-UHFFFAOYSA-N
MW440.60 g/mol
LogP-2.54
Rot. Bonds14

About 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide

3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide (PubChem CID 156662500) has the molecular formula C18H40N12O and a molecular weight of 440.60 g/mol. Its IUPAC name is 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide
PubChem CID156662500
Molecular FormulaC18H40N12O
Molecular Weight440.60 g/mol
Exact Mass440.34
IUPAC Name3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCN(CCC/N=C(\N)N/C(N)=N/CCC/N=C(N)/N=C(/C)N)C(=O)CCN
InChIInChI=1S/C18H40N12O/c1-14(20)28-16(21)25-9-3-10-26-17(22)29-18(23)27-11-5-13-30(12-4-8-24-2)15(31)6-7-19/h24H,3-13,19H2,1-2H3,(H4,20,21,25,28)(H5,22,23,26,27,29)
InChIKeyFAHSNPLSIBIQMK-UHFFFAOYSA-N
XLogP-2.54
TPSA223.91 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.60
LogP ≤ 5-2.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide with MolForge

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Related Compounds

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide
CID 59846977
3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine
CID 143058878
tert-butyl N-[3-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl-[3-(methylamino)propyl]amino]-3-oxopropyl]carbamate
CID 156662442
2-[3-(dimethylamino)propylamino]-N-[[4-[[[2-[3-(dimethylamino)propylamino]acetyl]amino]methyl]-6-oxo-1H-1,3,5-triazin-2-yl]methyl]acetamide
CID 166663682
3-[3-(dibutylamino)propylamino]-N-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethyl]propanamide
CID 170094650
2-[[3-(dimethylamino)propylamino]methyliminomethylimino]-N-[3-[methyl(propyl)amino]propyl]propanamide
CID 173544244
N,N-diethyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62358434
3-[[amino(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 62364812
N,N-diethyl-3-[(N'-propylcarbamimidoyl)amino]propanamide
CID 62364813
3-(1-aminoethylideneamino)-N-propylpropanamide
CID 63172932
3-(1-aminopropylideneamino)-N-propylpropanamide
CID 63177765
3-(1-aminopropylideneamino)-N-ethylpropanamide
CID 104429954

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide (CID 156662500) is 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide is CNCCCN(CCC/N=C(\N)N/C(N)=N/CCC/N=C(N)/N=C(/C)N)C(=O)CCN.
What is the InChIKey of 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide?
The InChIKey is FAHSNPLSIBIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N12O/c1-14(20)28-16(21)25-9-3-10-26-17(22)29-18(23)27-11-5-13-30(12-4-8-24-2)15(31)6-7-19/h24H,3-13,19H2,1-2H3,(H4,20,21,25,28)(H5,22,23,26,27,29).
What are the key properties of 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide?
3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide has a molecular weight of 440.60 g/mol, XLogP of -2.54, 14 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[amino-[[N'-[3-[[amino-[(Z)-1-aminoethylideneamino]methylidene]amino]propyl]carbamimidoyl]amino]methylidene]amino]propyl]-N-[3-(methylamino)propyl]propanamide is sourced from PubChem (CID 156662500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).