5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide

C15H31N9O3 — CID 134322834

IUPAC5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
SMILESCC(NC(=O)CCCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C15H31N9O3/c1-9(23-11(25)6-2-3-7-21-14(17)18)13(27)24-10(12(16)26)5-4-8-22-15(19)20/h9-10H,2-8H2,1H3,(H2,16,26)(H,23,25)(H,24,27)(H4,17,18,21)(H4,19,20,22)
InChIKeyIVNKNTPKNWZFOE-UHFFFAOYSA-N
MW385.47 g/mol
LogP-3.04
Rot. Bonds13

About 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide

5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide (PubChem CID 134322834) has the molecular formula C15H31N9O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
PubChem CID134322834
Molecular FormulaC15H31N9O3
Molecular Weight385.47 g/mol
Exact Mass385.25
IUPAC Name5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
SMILESCC(NC(=O)CCCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C15H31N9O3/c1-9(23-11(25)6-2-3-7-21-14(17)18)13(27)24-10(12(16)26)5-4-8-22-15(19)20/h9-10H,2-8H2,1H3,(H2,16,26)(H,23,25)(H,24,27)(H4,17,18,21)(H4,19,20,22)
InChIKeyIVNKNTPKNWZFOE-UHFFFAOYSA-N
XLogP-3.04
TPSA230.09 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 5-3.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
CID 58616882
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
N'-[1-[[2-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
CID 91366196
(2R)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 174965044
N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]hexadecanamide
CID 143986854
(4S)-5-amino-4-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 24886249
N-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutyl]hexadecanamide
CID 11239812
N-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]hexadecanamide
CID 11239873
methyl 4-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 19347851
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]hexadecanamide
CID 46865228
N-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]tetradecanamide
CID 11316991
N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
CID 11283359

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide (CID 134322834) is 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide is CC(NC(=O)CCCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(N)=O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide?
The InChIKey is IVNKNTPKNWZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N9O3/c1-9(23-11(25)6-2-3-7-21-14(17)18)13(27)24-10(12(16)26)5-4-8-22-15(19)20/h9-10H,2-8H2,1H3,(H2,16,26)(H,23,25)(H,24,27)(H4,17,18,21)(H4,19,20,22).
What are the key properties of 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide?
5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide has a molecular weight of 385.47 g/mol, XLogP of -3.04, 13 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide is sourced from PubChem (CID 134322834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).