3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

C17H30N2O2 — CID 79647676

IUPAC3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-19(12-13-5-3-2-4-6-13)15-9-10-17(11-15,16(20)21)18-14-7-8-14/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyDZWKNPBPVSPJGM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.63
Rot. Bonds6

About 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (PubChem CID 79647676) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
PubChem CID79647676
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCC1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-19(12-13-5-3-2-4-6-13)15-9-10-17(11-15,16(20)21)18-14-7-8-14/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyDZWKNPBPVSPJGM-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79646403
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
3-[cyclopentylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79641441
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
[3-[cyclopentylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656502
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
3-[methyl(oxan-3-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79644944
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (CID 79647676) is 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is CN(CC1CCCCC1)C1CCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is DZWKNPBPVSPJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-19(12-13-5-3-2-4-6-13)15-9-10-17(11-15,16(20)21)18-14-7-8-14/h13-15,18H,2-12H2,1H3,(H,20,21).
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79647676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).