2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine

C21H38FN — CID 123194306

IUPAC2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
SMILESCCCC(C)CC1C(=C(CCCF)C(C)C=C(C)CC)C1NC
InChIInChI=1S/C21H38FN/c1-7-10-16(4)14-19-20(21(19)23-6)18(11-9-12-22)17(5)13-15(3)8-2/h13,16-17,19,21,23H,7-12,14H2,1-6H3
InChIKeyNIIICSBXLAIBMM-UHFFFAOYSA-N
MW323.54 g/mol
LogP6.07
Rot. Bonds11

About 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine

2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine (PubChem CID 123194306) has the molecular formula C21H38FN and a molecular weight of 323.54 g/mol. Its IUPAC name is 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
PubChem CID123194306
Molecular FormulaC21H38FN
Molecular Weight323.54 g/mol
Exact Mass323.30
IUPAC Name2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
SMILESCCCC(C)CC1C(=C(CCCF)C(C)C=C(C)CC)C1NC
InChIInChI=1S/C21H38FN/c1-7-10-16(4)14-19-20(21(19)23-6)18(11-9-12-22)17(5)13-15(3)8-2/h13,16-17,19,21,23H,7-12,14H2,1-6H3
InChIKeyNIIICSBXLAIBMM-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(4Z,6Z)-6-(2-cyclopropylethyl)-N-[1-[2-[(5E)-3,5-difluoroocta-1,5-dien-2-yl]cyclopropyl]ethenyl]-3-methylideneocta-4,6-dien-2-amine
CID 88998052
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
CID 91313559
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 122494798
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
5-butyl-N-[(7-butyl-7-ethenyl-5-ethyl-4-fluoro-5-methylcyclohept-2-en-1-yl)methyl]-4-ethylcyclohepta-2,5-dien-1-amine
CID 123780514
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine?
The IUPAC name of 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine (CID 123194306) is 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine?
The canonical SMILES for 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine is CCCC(C)CC1C(=C(CCCF)C(C)C=C(C)CC)C1NC.
What is the InChIKey of 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine?
The InChIKey is NIIICSBXLAIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN/c1-7-10-16(4)14-19-20(21(19)23-6)18(11-9-12-22)17(5)13-15(3)8-2/h13,16-17,19,21,23H,7-12,14H2,1-6H3.
What are the key properties of 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine?
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine has a molecular weight of 323.54 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine is sourced from PubChem (CID 123194306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).