1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid

C12H23NO2 — CID 62271739

IUPAC1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-3-4-9-13(2)10-12(11(14)15)7-5-6-8-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyPGYOUASALDFJRF-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 62271739) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID62271739
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(C)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-3-4-9-13(2)10-12(11(14)15)7-5-6-8-12/h3-10H2,1-2H3,(H,14,15)
InChIKeyPGYOUASALDFJRF-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-methoxypropyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 63008835
1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270655
1-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271764
3-[[3-(dimethylamino)propyl-methylamino]methyl]oxane-3-carboxylic acid
CID 55243604
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-octylcyclononane-1-carboxylic acid
CID 71245674

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 62271739) is 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid is CCCCN(C)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PGYOUASALDFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-9-13(2)10-12(11(14)15)7-5-6-8-12/h3-10H2,1-2H3,(H,14,15).
What are the key properties of 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62271739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).