4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide

C16H26N2O — CID 70974431

IUPAC4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)CC(NC(=O)C1=CCC(N)C=C1)C1CCC1
InChIInChI=1S/C16H26N2O/c1-11(2)10-15(12-4-3-5-12)18-16(19)13-6-8-14(17)9-7-13/h6-8,11-12,14-15H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyFOKABLXNHMUALX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide

4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 70974431) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID70974431
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)CC(NC(=O)C1=CCC(N)C=C1)C1CCC1
InChIInChI=1S/C16H26N2O/c1-11(2)10-15(12-4-3-5-12)18-16(19)13-6-8-14(17)9-7-13/h6-8,11-12,14-15H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyFOKABLXNHMUALX-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide 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

Pipnoohine
CID 11222182
(2E,4E,6E,8E)-N-cyclohexyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 56673301
(2E,4E)-3,7,11-trimethyl-N-(2-methylpropyl)dodeca-2,4-dienamide
CID 44284111
(2E,4E)-3,7,11-trimethyl-N-propan-2-yldodeca-2,4-dienamide
CID 44284124
(2E)-5,9-dimethyl-N-octyldeca-2,8-dienamide
CID 44561506
N-(4-methylpentyl)octadeca-2,4,12-trienamide
CID 72757295
(2e,4e,6e,8e)-N-(6-aminohexyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide
CID 139030801
N-(4,4-dimethylcyclohexyl)-3-fluorocycloocta-1,3,7-triene-1-carboxamide
CID 123688474
(2E,4Z)-5-cyclobutyl-2-ethyl-1-(4-fluoropiperidin-1-yl)-3,6-dimethyl-7-(methylamino)hepta-2,4-dien-1-one
CID 130216632
(2E)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienamide
CID 144683872
(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683902
4-amino-N-[(4S)-2,4-dimethyl-4-(trifluoromethyl)cyclohex-2-en-1-yl]cyclohexa-1,5-diene-1-carboxamide
CID 173481339

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide (CID 70974431) is 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide is CC(C)CC(NC(=O)C1=CCC(N)C=C1)C1CCC1.
What is the InChIKey of 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is FOKABLXNHMUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)10-15(12-4-3-5-12)18-16(19)13-6-8-14(17)9-7-13/h6-8,11-12,14-15H,3-5,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide?
4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclobutyl-3-methylbutyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 70974431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).