(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine

C14H27N — CID 129043302

IUPAC(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine
SMILESC=C(CCCC)N[C@@H](CC)C(=C)CCC
InChIInChI=1S/C14H27N/c1-6-9-11-13(5)15-14(8-3)12(4)10-7-2/h14-15H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyXSTUAEFMDGFREO-AWEZNQCLSA-N
MW209.38 g/mol
LogP4.41
Rot. Bonds9

About (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine

(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine (PubChem CID 129043302) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine.

Molecular Properties

Compound Name(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine
PubChem CID129043302
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine
SMILESC=C(CCCC)N[C@@H](CC)C(=C)CCC
InChIInChI=1S/C14H27N/c1-6-9-11-13(5)15-14(8-3)12(4)10-7-2/h14-15H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyXSTUAEFMDGFREO-AWEZNQCLSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine?
The IUPAC name of (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine (CID 129043302) is (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine.
What is the SMILES notation for (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine?
The canonical SMILES for (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine is C=C(CCCC)N[C@@H](CC)C(=C)CCC.
What is the InChIKey of (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine?
The InChIKey is XSTUAEFMDGFREO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N/c1-6-9-11-13(5)15-14(8-3)12(4)10-7-2/h14-15H,4-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine?
(3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine has a molecular weight of 209.38 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-hex-1-en-2-yl-4-methylideneheptan-3-amine is sourced from PubChem (CID 129043302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).