4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide

C15H28N2O2 — CID 63832217

IUPAC4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCOC2CCCC2)CCC1N
InChIInChI=1S/C15H28N2O2/c1-11-10-12(6-7-14(11)16)15(18)17-8-9-19-13-4-2-3-5-13/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyVNGOCHNCICFFCF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.83
Rot. Bonds5

About 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide

4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 63832217) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID63832217
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCCOC2CCCC2)CCC1N
InChIInChI=1S/C15H28N2O2/c1-11-10-12(6-7-14(11)16)15(18)17-8-9-19-13-4-2-3-5-13/h11-14H,2-10,16H2,1H3,(H,17,18)
InChIKeyVNGOCHNCICFFCF-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
2-[(4-amino-3-methylcyclohexanecarbonyl)amino]ethyl carbamate
CID 83215209
4-amino-3-methyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104766026
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
3-amino-N-[2-(2-methylcyclohexyl)oxyethyl]cyclopentane-1-carboxamide
CID 119723094
4-amino-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 63231231
4-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 55139778
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
4-amino-3-methyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 115522308

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide (CID 63832217) is 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide is CC1CC(C(=O)NCCOC2CCCC2)CCC1N.
What is the InChIKey of 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is VNGOCHNCICFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-10-12(6-7-14(11)16)15(18)17-8-9-19-13-4-2-3-5-13/h11-14H,2-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide?
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63832217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).