1-N,4-dimethylpentane-1,2-diamine

C7H18N2 — CID 19855310

IUPAC1-N,4-dimethylpentane-1,2-diamine
SMILESCNCC(N)CC(C)C
InChIInChI=1S/C7H18N2/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRUXHHYJZWCQYGH-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.58
Rot. Bonds4

About 1-N,4-dimethylpentane-1,2-diamine

1-N,4-dimethylpentane-1,2-diamine (PubChem CID 19855310) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 1-N,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N,4-dimethylpentane-1,2-diamine
PubChem CID19855310
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name1-N,4-dimethylpentane-1,2-diamine
SMILESCNCC(N)CC(C)C
InChIInChI=1S/C7H18N2/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRUXHHYJZWCQYGH-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
CID 469907
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
2-Hexylamine, N,5-dimethyl-
CID 44596
4-Methylpentane-1,2-diamine
CID 3064226
(S)-N1,N1,4-trimethylpentane-1,2-diamine
CID 28599421
(S)-4-methylpentane-1,2-diamine
CID 10942394
(1-Amino-3-ethylpentan-2-yl)dimethylamine
CID 42933682
(2-Amino-1-cyclopropylethyl)dimethylamine
CID 43655002
(1-Amino-3-methylbutan-2-yl)dimethylamine
CID 16227974
(1-Amino-4-methylpentan-2-yl)dimethylamine
CID 16228003
N,4-Dimethyl-2-pentanamine
CID 16777019
5-Methylpiperidin-3-amine
CID 42628666

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N,4-dimethylpentane-1,2-diamine (CID 19855310) is 1-N,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N,4-dimethylpentane-1,2-diamine is CNCC(N)CC(C)C.
What is the InChIKey of 1-N,4-dimethylpentane-1,2-diamine?
The InChIKey is RUXHHYJZWCQYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-N,4-dimethylpentane-1,2-diamine?
1-N,4-dimethylpentane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 19855310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).