3-[(5-amino-2-methylpentyl)amino]propanal

C9H20N2O — CID 90399797

IUPAC3-[(5-amino-2-methylpentyl)amino]propanal
SMILESCC(CCCN)CNCCC=O
InChIInChI=1S/C9H20N2O/c1-9(4-2-5-10)8-11-6-3-7-12/h7,9,11H,2-6,8,10H2,1H3
InChIKeyISSNXFOHWOUZGC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.54
Rot. Bonds8

About 3-[(5-amino-2-methylpentyl)amino]propanal

3-[(5-amino-2-methylpentyl)amino]propanal (PubChem CID 90399797) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[(5-amino-2-methylpentyl)amino]propanal.

Molecular Properties

Compound Name3-[(5-amino-2-methylpentyl)amino]propanal
PubChem CID90399797
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[(5-amino-2-methylpentyl)amino]propanal
SMILESCC(CCCN)CNCCC=O
InChIInChI=1S/C9H20N2O/c1-9(4-2-5-10)8-11-6-3-7-12/h7,9,11H,2-6,8,10H2,1H3
InChIKeyISSNXFOHWOUZGC-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-2-methylpentyl)amino]propanal with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentane-1,5-diamine
CID 104682227
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
4-(3-aminopropylamino)butanal
CID 19913541
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
3-(2-tetradecyloctadecylamino)propanal
CID 54068246

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methylpentyl)amino]propanal?
The IUPAC name of 3-[(5-amino-2-methylpentyl)amino]propanal (CID 90399797) is 3-[(5-amino-2-methylpentyl)amino]propanal.
What is the SMILES notation for 3-[(5-amino-2-methylpentyl)amino]propanal?
The canonical SMILES for 3-[(5-amino-2-methylpentyl)amino]propanal is CC(CCCN)CNCCC=O.
What is the InChIKey of 3-[(5-amino-2-methylpentyl)amino]propanal?
The InChIKey is ISSNXFOHWOUZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(4-2-5-10)8-11-6-3-7-12/h7,9,11H,2-6,8,10H2,1H3.
What are the key properties of 3-[(5-amino-2-methylpentyl)amino]propanal?
3-[(5-amino-2-methylpentyl)amino]propanal has a molecular weight of 172.27 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methylpentyl)amino]propanal is sourced from PubChem (CID 90399797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).