2-Hexylamine, N,5-dimethyl-

C8H19N — CID 44596

IUPACN,5-dimethylhexan-2-amine
SMILESCC(C)CCC(C)NC
InChIInChI=1S/C8H19N/c1-7(2)5-6-8(3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyVFQPKDNSCZTUMI-UHFFFAOYSA-N
MW129.24 g/mol
LogP2.30
Rot. Bonds4

About 2-Hexylamine, N,5-dimethyl-

2-Hexylamine, N,5-dimethyl- (PubChem CID 44596) has the molecular formula C8H19N and a molecular weight of 129.24 g/mol. Its IUPAC name is N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name2-Hexylamine, N,5-dimethyl-
PubChem CID44596
Molecular FormulaC8H19N
Molecular Weight129.24 g/mol
Exact Mass129.15
IUPAC NameN,5-dimethylhexan-2-amine
SMILESCC(C)CCC(C)NC
InChIInChI=1S/C8H19N/c1-7(2)5-6-8(3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyVFQPKDNSCZTUMI-UHFFFAOYSA-N
XLogP2.30
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity59

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89562

Frequently Asked Questions

What is the IUPAC name of 2-Hexylamine, N,5-dimethyl-?
The IUPAC name of 2-Hexylamine, N,5-dimethyl- (CID 44596) is N,5-dimethylhexan-2-amine.
What is the SMILES notation for 2-Hexylamine, N,5-dimethyl-?
The canonical SMILES for 2-Hexylamine, N,5-dimethyl- is CC(C)CCC(C)NC.
What is the InChIKey of 2-Hexylamine, N,5-dimethyl-?
The InChIKey is VFQPKDNSCZTUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)5-6-8(3)9-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-Hexylamine, N,5-dimethyl-?
2-Hexylamine, N,5-dimethyl- has a molecular weight of 129.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Hexylamine, N,5-dimethyl- is sourced from PubChem (CID 44596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).