cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate

C15H27NO2 — CID 83216614

IUPACcyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OCC2CCCCC2)CCCCC1N
InChIInChI=1S/C15H27NO2/c1-15(10-6-5-9-13(15)16)14(17)18-11-12-7-3-2-4-8-12/h12-13H,2-11,16H2,1H3
InChIKeyMTLRQQSGFJFDFG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.02
Rot. Bonds3

About cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate

cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate (PubChem CID 83216614) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
PubChem CID83216614
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namecyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)OCC2CCCCC2)CCCCC1N
InChIInChI=1S/C15H27NO2/c1-15(10-6-5-9-13(15)16)14(17)18-11-12-7-3-2-4-8-12/h12-13H,2-11,16H2,1H3
InChIKeyMTLRQQSGFJFDFG-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl 1-aminocycloheptane-1-carboxylate
CID 66321581
trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
(4,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
CID 114341350
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
(3,4-dimethylcyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762505
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate?
The IUPAC name of cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate (CID 83216614) is cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate is CC1(C(=O)OCC2CCCCC2)CCCCC1N.
What is the InChIKey of cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate?
The InChIKey is MTLRQQSGFJFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(10-6-5-9-13(15)16)14(17)18-11-12-7-3-2-4-8-12/h12-13H,2-11,16H2,1H3.
What are the key properties of cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate?
cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 83216614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).