cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate

C16H29NO2 — CID 102629669

IUPACcyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
SMILESCC1C(N)CCC(C(=O)OCC2CCCC2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-11-14(17)9-8-13(16(11,2)3)15(18)19-10-12-6-4-5-7-12/h11-14H,4-10,17H2,1-3H3
InChIKeyGNOJMKRZJWZULU-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.12
Rot. Bonds3

About cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate

cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate (PubChem CID 102629669) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
PubChem CID102629669
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namecyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
SMILESCC1C(N)CCC(C(=O)OCC2CCCC2)C1(C)C
InChIInChI=1S/C16H29NO2/c1-11-14(17)9-8-13(16(11,2)3)15(18)19-10-12-6-4-5-7-12/h11-14H,4-10,17H2,1-3H3
InChIKeyGNOJMKRZJWZULU-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl) 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629636
2-butoxyethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629642
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
(2-chlorophenyl)methyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629637
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-amino-N-methoxy-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628653
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629161
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The IUPAC name of cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate (CID 102629669) is cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate.
What is the SMILES notation for cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The canonical SMILES for cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate is CC1C(N)CCC(C(=O)OCC2CCCC2)C1(C)C.
What is the InChIKey of cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
The InChIKey is GNOJMKRZJWZULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11-14(17)9-8-13(16(11,2)3)15(18)19-10-12-6-4-5-7-12/h11-14H,4-10,17H2,1-3H3.
What are the key properties of cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate?
cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate is sourced from PubChem (CID 102629669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).