2-methyl-N-(3-methylbutyl)pentane-1,5-diamine

C11H26N2 — CID 146231841

IUPAC2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCNCC(C)CCCN
InChIInChI=1S/C11H26N2/c1-10(2)6-8-13-9-11(3)5-4-7-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyRLINGCVVGVEEBC-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.00
Rot. Bonds8

About 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine

2-methyl-N-(3-methylbutyl)pentane-1,5-diamine (PubChem CID 146231841) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
PubChem CID146231841
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
SMILESCC(C)CCNCC(C)CCCN
InChIInChI=1S/C11H26N2/c1-10(2)6-8-13-9-11(3)5-4-7-12/h10-11,13H,4-9,12H2,1-3H3
InChIKeyRLINGCVVGVEEBC-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine 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

N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
4,7-dimethyloctan-1-amine
CID 123439711
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-methylpropyl)butane-1,4-diamine
CID 79001587
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
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine (CID 146231841) is 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine is CC(C)CCNCC(C)CCCN.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine?
The InChIKey is RLINGCVVGVEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-10(2)6-8-13-9-11(3)5-4-7-12/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine?
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)pentane-1,5-diamine is sourced from PubChem (CID 146231841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).