1-amino-3-octan-2-yloxycyclohexane-1-carboxamide

C15H30N2O2 — CID 79637541

IUPAC1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
SMILESCCCCCCC(C)OC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H30N2O2/c1-3-4-5-6-8-12(2)19-13-9-7-10-15(17,11-13)14(16)18/h12-13H,3-11,17H2,1-2H3,(H2,16,18)
InChIKeyNCMNYZGKCONWJB-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.49
Rot. Bonds8

About 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide

1-amino-3-octan-2-yloxycyclohexane-1-carboxamide (PubChem CID 79637541) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
PubChem CID79637541
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-amino-3-octan-2-yloxycyclohexane-1-carboxamide
SMILESCCCCCCC(C)OC1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H30N2O2/c1-3-4-5-6-8-12(2)19-13-9-7-10-15(17,11-13)14(16)18/h12-13H,3-11,17H2,1-2H3,(H2,16,18)
InChIKeyNCMNYZGKCONWJB-UHFFFAOYSA-N
XLogP2.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-octan-2-yloxycyclohexane-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

1-amino-3-(1-ethoxypropan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103489823
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
butyl 1-amino-3-methoxycyclohexane-1-carboxylate
CID 151543053
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
octan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64700419
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide (CID 79637541) is 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide is CCCCCCC(C)OC1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide?
The InChIKey is NCMNYZGKCONWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-4-5-6-8-12(2)19-13-9-7-10-15(17,11-13)14(16)18/h12-13H,3-11,17H2,1-2H3,(H2,16,18).
What are the key properties of 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide?
1-amino-3-octan-2-yloxycyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-octan-2-yloxycyclohexane-1-carboxamide is sourced from PubChem (CID 79637541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).