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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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).