2-methylhexane-1,5-diamine

C7H18N2 — CID 18314368

IUPAC2-methylhexane-1,5-diamine
SMILESCC(N)CCC(C)CN
InChIInChI=1S/C7H18N2/c1-6(5-8)3-4-7(2)9/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQGRILOLJITFOR-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.71
Rot. Bonds4

About 2-methylhexane-1,5-diamine

2-methylhexane-1,5-diamine (PubChem CID 18314368) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-methylhexane-1,5-diamine.

Molecular Properties

Compound Name2-methylhexane-1,5-diamine
PubChem CID18314368
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2-methylhexane-1,5-diamine
SMILESCC(N)CCC(C)CN
InChIInChI=1S/C7H18N2/c1-6(5-8)3-4-7(2)9/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQGRILOLJITFOR-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-hexane-2,5-diamine
CID 144618459
6-methylheptane-1,2,3,7-tetramine
CID 91329545
(2S)-2-methylbutane-1,4-diamine
CID 51382069
5-methylheptan-2-amine;hydrochloride
CID 127255592
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
2-methyloctane-1,5,6,7-tetramine
CID 57229411
(2S)-propane-1,2-diamine
CID 642322
(4S)-2-methylpentane-1,4-diamine
CID 170201725
5-methyltridecane-2,12-diamine
CID 18720546
4-chloro-2-methylbutan-1-amine
CID 18363058
palladium;propane-1,2-diamine
CID 87255476
7-amino-6-methylheptan-3-ol
CID 87174577

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane-1,5-diamine?
The IUPAC name of 2-methylhexane-1,5-diamine (CID 18314368) is 2-methylhexane-1,5-diamine.
What is the SMILES notation for 2-methylhexane-1,5-diamine?
The canonical SMILES for 2-methylhexane-1,5-diamine is CC(N)CCC(C)CN.
What is the InChIKey of 2-methylhexane-1,5-diamine?
The InChIKey is VQGRILOLJITFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(5-8)3-4-7(2)9/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methylhexane-1,5-diamine?
2-methylhexane-1,5-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane-1,5-diamine is sourced from PubChem (CID 18314368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).