(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine

C17H33N — CID 130371417

IUPAC(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine
SMILESC/C=C(\C=C/CC(C)C)CC(C)CCN(C)CC
InChIInChI=1S/C17H33N/c1-7-17(11-9-10-15(3)4)14-16(5)12-13-18(6)8-2/h7,9,11,15-16H,8,10,12-14H2,1-6H3/b11-9-,17-7+
InChIKeyQCUWZXSBFSYWMM-KCUPWXTRSA-N
MW251.46 g/mol
LogP4.90
Rot. Bonds9

About (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine

(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine (PubChem CID 130371417) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine.

Molecular Properties

Compound Name(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine
PubChem CID130371417
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine
SMILESC/C=C(\C=C/CC(C)C)CC(C)CCN(C)CC
InChIInChI=1S/C17H33N/c1-7-17(11-9-10-15(3)4)14-16(5)12-13-18(6)8-2/h7,9,11,15-16H,8,10,12-14H2,1-6H3/b11-9-,17-7+
InChIKeyQCUWZXSBFSYWMM-KCUPWXTRSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-(8-Fluoro-4,5-dimethylnona-5,7-dienyl)piperidine
CID 123361404
4-fluoro-1-[(Z,2E)-3-methyl-2-propylidenehex-3-enyl]-4-prop-2-enylazepane
CID 130216894
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675

Frequently Asked Questions

What is the IUPAC name of (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine?
The IUPAC name of (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine (CID 130371417) is (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine.
What is the SMILES notation for (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine?
The canonical SMILES for (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine is C/C=C(\C=C/CC(C)C)CC(C)CCN(C)CC.
What is the InChIKey of (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine?
The InChIKey is QCUWZXSBFSYWMM-KCUPWXTRSA-N. The full InChI is InChI=1S/C17H33N/c1-7-17(11-9-10-15(3)4)14-16(5)12-13-18(6)8-2/h7,9,11,15-16H,8,10,12-14H2,1-6H3/b11-9-,17-7+.
What are the key properties of (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine?
(Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-N-ethyl-5-ethylidene-N,3,9-trimethyldec-6-en-1-amine is sourced from PubChem (CID 130371417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).