N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine

C23H37FN2 — CID 156641308

IUPACN-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine
SMILESC=CC(CC1=CC=C(C)C(F)C1)NC(=C)CCCCCN1CCCCC1
InChIInChI=1S/C23H37FN2/c1-4-22(17-21-13-12-19(2)23(24)18-21)25-20(3)11-7-5-8-14-26-15-9-6-10-16-26/h4,12-13,22-23,25H,1,3,5-11,14-18H2,2H3
InChIKeyPCCDMIPZTPGMDT-UHFFFAOYSA-N
MW360.56 g/mol
LogP5.70
Rot. Bonds11

About N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine

N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine (PubChem CID 156641308) has the molecular formula C23H37FN2 and a molecular weight of 360.56 g/mol. Its IUPAC name is N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine
PubChem CID156641308
Molecular FormulaC23H37FN2
Molecular Weight360.56 g/mol
Exact Mass360.29
IUPAC NameN-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine
SMILESC=CC(CC1=CC=C(C)C(F)C1)NC(=C)CCCCCN1CCCCC1
InChIInChI=1S/C23H37FN2/c1-4-22(17-21-13-12-19(2)23(24)18-21)25-20(3)11-7-5-8-14-26-15-9-6-10-16-26/h4,12-13,22-23,25H,1,3,5-11,14-18H2,2H3
InChIKeyPCCDMIPZTPGMDT-UHFFFAOYSA-N
XLogP5.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.56
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Fluorocyclohexen-1-yl)-1,2,3,4,8,8a-hexahydroquinolin-6-amine
CID 69620460
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085340
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
N-[(5Z,6E)-6-(aminomethylidene)-3-(2-fluoro-1,2-dihydropyridin-6-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085527
N-[(5Z,6E)-6-(aminomethylidene)-3-(2-fluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085533
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(2S,8aS)-N-ethyl-2-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-N-methyl-1,2,8,8a-tetrahydroquinolin-7-amine
CID 121321850

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine?
The IUPAC name of N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine (CID 156641308) is N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine?
The canonical SMILES for N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine is C=CC(CC1=CC=C(C)C(F)C1)NC(=C)CCCCCN1CCCCC1.
What is the InChIKey of N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine?
The InChIKey is PCCDMIPZTPGMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN2/c1-4-22(17-21-13-12-19(2)23(24)18-21)25-20(3)11-7-5-8-14-26-15-9-6-10-16-26/h4,12-13,22-23,25H,1,3,5-11,14-18H2,2H3.
What are the key properties of N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine?
N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine has a molecular weight of 360.56 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine is sourced from PubChem (CID 156641308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).