(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate

C17H31NO2 — CID 115433854

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C17H31NO2/c1-12(2)14-7-6-13(3)10-15(14)20-16(19)17(11-18)8-4-5-9-17/h12-15H,4-11,18H2,1-3H3
InChIKeyNVIJBPLAQUNSNT-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.51
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate (PubChem CID 115433854) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate
PubChem CID115433854
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(CN)CCCC2)C1
InChIInChI=1S/C17H31NO2/c1-12(2)14-7-6-13(3)10-15(14)20-16(19)17(11-18)8-4-5-9-17/h12-15H,4-11,18H2,1-3H3
InChIKeyNVIJBPLAQUNSNT-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 63540758
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate
CID 63542015
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate;hydrochloride
CID 67305263
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686009
trans-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 124527978
(4-methylcyclohexyl) 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436617
(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446210
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate (CID 115433854) is (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2(CN)CCCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate?
The InChIKey is NVIJBPLAQUNSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)14-7-6-13(3)10-15(14)20-16(19)17(11-18)8-4-5-9-17/h12-15H,4-11,18H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 115433854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).