(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine

C17H35N — CID 89110580

IUPAC(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine
SMILESCCCCC(C)N(C)C/C=C\C(C)C(CC)CC
InChIInChI=1S/C17H35N/c1-7-10-13-16(5)18(6)14-11-12-15(4)17(8-2)9-3/h11-12,15-17H,7-10,13-14H2,1-6H3/b12-11-
InChIKeyYGSVBEWOVGQAML-QXMHVHEDSA-N
MW253.47 g/mol
LogP5.13
Rot. Bonds10

About (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine

(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine (PubChem CID 89110580) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine.

Molecular Properties

Compound Name(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine
PubChem CID89110580
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine
SMILESCCCCC(C)N(C)C/C=C\C(C)C(CC)CC
InChIInChI=1S/C17H35N/c1-7-10-13-16(5)18(6)14-11-12-15(4)17(8-2)9-3/h11-12,15-17H,7-10,13-14H2,1-6H3/b12-11-
InChIKeyYGSVBEWOVGQAML-QXMHVHEDSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
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 (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine?
The IUPAC name of (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine (CID 89110580) is (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine.
What is the SMILES notation for (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine?
The canonical SMILES for (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine is CCCCC(C)N(C)C/C=C\C(C)C(CC)CC.
What is the InChIKey of (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine?
The InChIKey is YGSVBEWOVGQAML-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H35N/c1-7-10-13-16(5)18(6)14-11-12-15(4)17(8-2)9-3/h11-12,15-17H,7-10,13-14H2,1-6H3/b12-11-.
What are the key properties of (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine?
(Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-N-hexan-2-yl-N,4-dimethylhept-2-en-1-amine is sourced from PubChem (CID 89110580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).