N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine

C14H36N6 — CID 11007372

IUPACN,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
SMILESCC(CNCCCN)(CNCCCN)CNCCCN
InChIInChI=1S/C14H36N6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h18-20H,2-13,15-17H2,1H3
InChIKeyABEAQDRCGMIZJI-UHFFFAOYSA-N
MW288.48 g/mol
LogP-1.19
Rot. Bonds15

About N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine

N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine (PubChem CID 11007372) has the molecular formula C14H36N6 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
PubChem CID11007372
Molecular FormulaC14H36N6
Molecular Weight288.48 g/mol
Exact Mass288.30
IUPAC NameN,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
SMILESCC(CNCCCN)(CNCCCN)CNCCCN
InChIInChI=1S/C14H36N6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h18-20H,2-13,15-17H2,1H3
InChIKeyABEAQDRCGMIZJI-UHFFFAOYSA-N
XLogP-1.19
TPSA114.15 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 5-1.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropylamino)-2-methylpropan-2-ol;hydrochloride
CID 173290454
3-[[2-[(6-aminohexylamino)methyl]-2-methyl-3-[(2-methyl-3-oxobutan-2-yl)amino]propyl]amino]-3-methylbutan-2-one
CID 87989579
3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644350
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
CID 57136754

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine (CID 11007372) is N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine is CC(CNCCCN)(CNCCCN)CNCCCN.
What is the InChIKey of N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine?
The InChIKey is ABEAQDRCGMIZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H36N6/c1-14(11-18-8-2-5-15,12-19-9-3-6-16)13-20-10-4-7-17/h18-20H,2-13,15-17H2,1H3.
What are the key properties of N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine?
N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine has a molecular weight of 288.48 g/mol, XLogP of -1.19, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 11007372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).