methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid

C15H28N2O2 — CID 22294185

IUPACmethyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid
SMILESCN(CCC1CCC(CN2CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-16(15(18)19)11-8-13-4-6-14(7-5-13)12-17-9-2-3-10-17/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyVXWWPPZNUKHWDT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.89
Rot. Bonds5

About methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid

methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid (PubChem CID 22294185) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid
PubChem CID22294185
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid
SMILESCN(CCC1CCC(CN2CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H28N2O2/c1-16(15(18)19)11-8-13-4-6-14(7-5-13)12-17-9-2-3-10-17/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyVXWWPPZNUKHWDT-UHFFFAOYSA-N
XLogP2.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
4-chloro-1-(cyclopropylmethyl)azepane
CID 131067593
1-[(4-tert-butylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 104576017
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane
CID 142427585
(2R)-2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 100844185

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid (CID 22294185) is methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid is CN(CCC1CCC(CN2CCCC2)CC1)C(=O)O.
What is the InChIKey of methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid?
The InChIKey is VXWWPPZNUKHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(15(18)19)11-8-13-4-6-14(7-5-13)12-17-9-2-3-10-17/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid?
methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid has a molecular weight of 268.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]ethyl]carbamic acid is sourced from PubChem (CID 22294185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).