(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine

C17H33N — CID 138507756

IUPAC(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine
SMILESC/C=C(\C=C/C(C)C)C(C)NCC(C)CC(C)C
InChIInChI=1S/C17H33N/c1-8-17(10-9-13(2)3)16(7)18-12-15(6)11-14(4)5/h8-10,13-16,18H,11-12H2,1-7H3/b10-9-,17-8+
InChIKeyLVYRLNUTIWIHRT-QBYMHUFYSA-N
MW251.46 g/mol
LogP4.81
Rot. Bonds8

About (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine

(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine (PubChem CID 138507756) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine
PubChem CID138507756
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine
SMILESC/C=C(\C=C/C(C)C)C(C)NCC(C)CC(C)C
InChIInChI=1S/C17H33N/c1-8-17(10-9-13(2)3)16(7)18-12-15(6)11-14(4)5/h8-10,13-16,18H,11-12H2,1-7H3/b10-9-,17-8+
InChIKeyLVYRLNUTIWIHRT-QBYMHUFYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine?
The IUPAC name of (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine (CID 138507756) is (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine.
What is the SMILES notation for (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine?
The canonical SMILES for (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine is C/C=C(\C=C/C(C)C)C(C)NCC(C)CC(C)C.
What is the InChIKey of (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine?
The InChIKey is LVYRLNUTIWIHRT-QBYMHUFYSA-N. The full InChI is InChI=1S/C17H33N/c1-8-17(10-9-13(2)3)16(7)18-12-15(6)11-14(4)5/h8-10,13-16,18H,11-12H2,1-7H3/b10-9-,17-8+.
What are the key properties of (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine?
(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine is sourced from PubChem (CID 138507756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).