N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine

C13H31N3 — CID 58472111

IUPACN'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine
SMILESCC(CN)CCCCCCCNC(C)CN
InChIInChI=1S/C13H31N3/c1-12(10-14)8-6-4-3-5-7-9-16-13(2)11-15/h12-13,16H,3-11,14-15H2,1-2H3
InChIKeyZEFLSSCOFLBCAE-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.86
Rot. Bonds11

About N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine

N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine (PubChem CID 58472111) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine.

Molecular Properties

Compound NameN'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine
PubChem CID58472111
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine
SMILESCC(CN)CCCCCCCNC(C)CN
InChIInChI=1S/C13H31N3/c1-12(10-14)8-6-4-3-5-7-9-16-13(2)11-15/h12-13,16H,3-11,14-15H2,1-2H3
InChIKeyZEFLSSCOFLBCAE-UHFFFAOYSA-N
XLogP1.86
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine?
The IUPAC name of N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine (CID 58472111) is N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine.
What is the SMILES notation for N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine?
The canonical SMILES for N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine is CC(CN)CCCCCCCNC(C)CN.
What is the InChIKey of N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine?
The InChIKey is ZEFLSSCOFLBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-12(10-14)8-6-4-3-5-7-9-16-13(2)11-15/h12-13,16H,3-11,14-15H2,1-2H3.
What are the key properties of N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine?
N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-aminopropan-2-yl)-2-methylnonane-1,9-diamine is sourced from PubChem (CID 58472111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).