2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid

C16H31NO2 — CID 63067550

IUPAC2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCCCCN(CCCC)C1CC(C)CCC1C(=O)O
InChIInChI=1S/C16H31NO2/c1-4-6-10-17(11-7-5-2)15-12-13(3)8-9-14(15)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyZJKYPXJXJBJABI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.78
Rot. Bonds8

About 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid

2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 63067550) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID63067550
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCCCCN(CCCC)C1CC(C)CCC1C(=O)O
InChIInChI=1S/C16H31NO2/c1-4-6-10-17(11-7-5-2)15-12-13(3)8-9-14(15)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyZJKYPXJXJBJABI-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068922
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068320
2-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55228468
2-(dipropylamino)cyclopentane-1-carboxylic acid
CID 63067720
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
CID 63067972
2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978393
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid (CID 63067550) is 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid is CCCCN(CCCC)C1CC(C)CCC1C(=O)O.
What is the InChIKey of 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is ZJKYPXJXJBJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-10-17(11-7-5-2)15-12-13(3)8-9-14(15)16(18)19/h13-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid?
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 269.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63067550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).