(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine

C20H36FN — CID 142340861

IUPAC(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
SMILESC=C(/C=C\C(CC(C)C)=C(C)C)CCCN(CC)CC(C)F
InChIInChI=1S/C20H36FN/c1-8-22(15-19(7)21)13-9-10-18(6)11-12-20(17(4)5)14-16(2)3/h11-12,16,19H,6,8-10,13-15H2,1-5,7H3/b12-11-
InChIKeyHGVWGQPZEOCGHR-QXMHVHEDSA-N
MW309.51 g/mol
LogP5.94
Rot. Bonds11

About (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine

(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine (PubChem CID 142340861) has the molecular formula C20H36FN and a molecular weight of 309.51 g/mol. Its IUPAC name is (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
PubChem CID142340861
Molecular FormulaC20H36FN
Molecular Weight309.51 g/mol
Exact Mass309.28
IUPAC Name(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
SMILESC=C(/C=C\C(CC(C)C)=C(C)C)CCCN(CC)CC(C)F
InChIInChI=1S/C20H36FN/c1-8-22(15-19(7)21)13-9-10-18(6)11-12-20(17(4)5)14-16(2)3/h11-12,16,19H,6,8-10,13-15H2,1-5,7H3/b12-11-
InChIKeyHGVWGQPZEOCGHR-QXMHVHEDSA-N
XLogP5.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 55.94
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

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CID 17948343
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
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N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
6-Fluoro-3-propyl-1-sulfanyl-2,3,8,9-tetrahydroazonine
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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
N-ethyl-N-[3-[(4Z)-5-ethyl-8-fluoro-6-methylcycloocta-1,4,6-trien-1-yl]propyl]butan-1-amine
CID 130243097
(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
CID 130243422
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
3-fluoro-1-methyl-3-[(1E)-penta-1,3,4-trienyl]piperidine
CID 132004053

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine?
The IUPAC name of (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine (CID 142340861) is (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine is C=C(/C=C\C(CC(C)C)=C(C)C)CCCN(CC)CC(C)F.
What is the InChIKey of (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine?
The InChIKey is HGVWGQPZEOCGHR-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H36FN/c1-8-22(15-19(7)21)13-9-10-18(6)11-12-20(17(4)5)14-16(2)3/h11-12,16,19H,6,8-10,13-15H2,1-5,7H3/b12-11-.
What are the key properties of (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine?
(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine has a molecular weight of 309.51 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine is sourced from PubChem (CID 142340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).