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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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).