4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine

C24H41FN2 — CID 155204879

IUPAC4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
SMILESC=CCC(F)CC1CC1CCNCCCCC1=CC=C(CCCC)[C@H](C)N1
InChIInChI=1S/C24H41FN2/c1-4-6-10-20-12-13-24(27-19(20)3)11-7-8-15-26-16-14-21-17-22(21)18-23(25)9-5-2/h5,12-13,19,21-23,26-27H,2,4,6-11,14-18H2,1,3H3/t19-,21?,22?,23?/m0/s1
InChIKeyKVLICNQCBBIROQ-GHNTVSCVSA-N
MW376.60 g/mol
LogP6.07
Rot. Bonds15

About 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine

4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine (PubChem CID 155204879) has the molecular formula C24H41FN2 and a molecular weight of 376.60 g/mol. Its IUPAC name is 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine.

Molecular Properties

Compound Name4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
PubChem CID155204879
Molecular FormulaC24H41FN2
Molecular Weight376.60 g/mol
Exact Mass376.33
IUPAC Name4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
SMILESC=CCC(F)CC1CC1CCNCCCCC1=CC=C(CCCC)[C@H](C)N1
InChIInChI=1S/C24H41FN2/c1-4-6-10-20-12-13-24(27-19(20)3)11-7-8-15-26-16-14-21-17-22(21)18-23(25)9-5-2/h5,12-13,19,21-23,26-27H,2,4,6-11,14-18H2,1,3H3/t19-,21?,22?,23?/m0/s1
InChIKeyKVLICNQCBBIROQ-GHNTVSCVSA-N
XLogP6.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.60
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(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
(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 122494798
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
5-N-cyclopropyl-5-N-[(E)-2-[(E)-2-fluoro-3-methylidenepent-1-enyl]dec-2-enyl]-4-methylhex-5-ene-1,5-diamine
CID 126583214
(2Z,4E)-4-N-[2-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)-(2-methylpropylamino)methyl]-3-methylidenecyclopenten-1-yl]-1,1,1-trifluorohexa-2,4-diene-2,4-diamine
CID 129016923
(2E,4Z)-7-[[3-[(1Z,3E)-3-fluoropenta-1,3-dienyl]-4-methyl-1-[2-(methylamino)ethyl]cyclohex-3-en-1-yl]methyl]-N,2,6-trimethyl-3-(2-methylpropyl)octa-2,4,7-trien-1-amine
CID 130370887
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
5-ethyl-8-(2-fluoroethyl)-9-(5-methylidenehept-6-enyl)-2,3,4,5,6,7,7a,8-octahydro-1H-2-benzazonin-10-amine
CID 134449612
1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
CID 134593997

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine?
The IUPAC name of 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine (CID 155204879) is 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine.
What is the SMILES notation for 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine?
The canonical SMILES for 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine is C=CCC(F)CC1CC1CCNCCCCC1=CC=C(CCCC)[C@H](C)N1.
What is the InChIKey of 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine?
The InChIKey is KVLICNQCBBIROQ-GHNTVSCVSA-N. The full InChI is InChI=1S/C24H41FN2/c1-4-6-10-20-12-13-24(27-19(20)3)11-7-8-15-26-16-14-21-17-22(21)18-23(25)9-5-2/h5,12-13,19,21-23,26-27H,2,4,6-11,14-18H2,1,3H3/t19-,21?,22?,23?/m0/s1.
What are the key properties of 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine?
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine has a molecular weight of 376.60 g/mol, XLogP of 6.07, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine is sourced from PubChem (CID 155204879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).