2-methyl-1-N-propylpentane-1,4-diamine

C9H22N2 — CID 123759475

IUPAC2-methyl-1-N-propylpentane-1,4-diamine
SMILESCCCNCC(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-4-5-11-7-8(2)6-9(3)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWLWAXIOVYIEYNK-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds6

About 2-methyl-1-N-propylpentane-1,4-diamine

2-methyl-1-N-propylpentane-1,4-diamine (PubChem CID 123759475) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-methyl-1-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-propylpentane-1,4-diamine
PubChem CID123759475
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-methyl-1-N-propylpentane-1,4-diamine
SMILESCCCNCC(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-4-5-11-7-8(2)6-9(3)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWLWAXIOVYIEYNK-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
2-methyl-N-propylpropan-1-amine
CID 520943
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
3-methyl-4-(propylamino)butanal
CID 123538675
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
(2S)-4-methylhexan-2-amine
CID 141201507
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
4,6-dimethylnonane-2,8-diamine
CID 59264321
trimethyl(propylaminomethyl)phosphanium
CID 167202945
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
N-butyl-N'-(2,4-dimethylheptyl)propane-1,3-diamine
CID 146252280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-propylpentane-1,4-diamine?
The IUPAC name of 2-methyl-1-N-propylpentane-1,4-diamine (CID 123759475) is 2-methyl-1-N-propylpentane-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-propylpentane-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-propylpentane-1,4-diamine is CCCNCC(C)CC(C)N.
What is the InChIKey of 2-methyl-1-N-propylpentane-1,4-diamine?
The InChIKey is WLWAXIOVYIEYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-11-7-8(2)6-9(3)10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-1-N-propylpentane-1,4-diamine?
2-methyl-1-N-propylpentane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-propylpentane-1,4-diamine is sourced from PubChem (CID 123759475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).