N-hexyl-5-methylhex-1-en-2-amine

C13H27N — CID 138727788

IUPACN-hexyl-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCCCC
InChIInChI=1S/C13H27N/c1-5-6-7-8-11-14-13(4)10-9-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyZLSWAOCUZLQCKP-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.11
Rot. Bonds9

About N-hexyl-5-methylhex-1-en-2-amine

N-hexyl-5-methylhex-1-en-2-amine (PubChem CID 138727788) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-hexyl-5-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-hexyl-5-methylhex-1-en-2-amine
PubChem CID138727788
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-hexyl-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCCCCCC
InChIInChI=1S/C13H27N/c1-5-6-7-8-11-14-13(4)10-9-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyZLSWAOCUZLQCKP-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-methylhex-1-en-2-amine?
The IUPAC name of N-hexyl-5-methylhex-1-en-2-amine (CID 138727788) is N-hexyl-5-methylhex-1-en-2-amine.
What is the SMILES notation for N-hexyl-5-methylhex-1-en-2-amine?
The canonical SMILES for N-hexyl-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NCCCCCC.
What is the InChIKey of N-hexyl-5-methylhex-1-en-2-amine?
The InChIKey is ZLSWAOCUZLQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-6-7-8-11-14-13(4)10-9-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-hexyl-5-methylhex-1-en-2-amine?
N-hexyl-5-methylhex-1-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-methylhex-1-en-2-amine is sourced from PubChem (CID 138727788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).