(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid

C18H27N3O2 — CID 54177043

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid
SMILESCC(=NN(C(=O)O)C1CC(C)CCC1C(C)C)c1ccncc1
InChIInChI=1S/C18H27N3O2/c1-12(2)16-6-5-13(3)11-17(16)21(18(22)23)20-14(4)15-7-9-19-10-8-15/h7-10,12-13,16-17H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyOZCVDTPUMNJCEI-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.25
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid

(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid (PubChem CID 54177043) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid
PubChem CID54177043
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid
SMILESCC(=NN(C(=O)O)C1CC(C)CCC1C(C)C)c1ccncc1
InChIInChI=1S/C18H27N3O2/c1-12(2)16-6-5-13(3)11-17(16)21(18(22)23)20-14(4)15-7-9-19-10-8-15/h7-10,12-13,16-17H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyOZCVDTPUMNJCEI-UHFFFAOYSA-N
XLogP4.25
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid 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

N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 22480097
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
CID 22413256
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481
N-oxido-N-(1-pyridin-4-ylethylideneamino)formamide
CID 86152246
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 10955833
5-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyridine-2,5-dicarboxylate
CID 11885671
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid (CID 54177043) is (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid is CC(=NN(C(=O)O)C1CC(C)CCC1C(C)C)c1ccncc1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid?
The InChIKey is OZCVDTPUMNJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)16-6-5-13(3)11-17(16)21(18(22)23)20-14(4)15-7-9-19-10-8-15/h7-10,12-13,16-17H,5-6,11H2,1-4H3,(H,22,23).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid?
(5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid has a molecular weight of 317.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)-(1-pyridin-4-ylethylideneamino)carbamic acid is sourced from PubChem (CID 54177043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).