methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate

C13H23NO2 — CID 79857506

IUPACmethyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-12(2)7-4-8-13(12,11(15)16-3)14-9-10-5-6-10/h10,14H,4-9H2,1-3H3
InChIKeyIESLDYVGHOFKHO-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate

methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate (PubChem CID 79857506) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate
PubChem CID79857506
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(NCC2CC2)CCCC1(C)C
InChIInChI=1S/C13H23NO2/c1-12(2)7-4-8-13(12,11(15)16-3)14-9-10-5-6-10/h10,14H,4-9H2,1-3H3
InChIKeyIESLDYVGHOFKHO-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 79857054
methyl 1-(cyclopropylmethylamino)-2,5-dimethylcyclohexane-1-carboxylate
CID 64756183
1-(cyclopropylmethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088294
methyl 4-(cyclopropylmethylamino)-1-propylpiperidine-4-carboxylate
CID 54894020
methyl 3-(cyclopropylmethylamino)-1,1-dioxothiolane-3-carboxylate
CID 63166297
ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
CID 79847585
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
CID 82719303
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
methyl 4-(cyclopropylmethylamino)-1-propan-2-ylazepane-4-carboxylate
CID 65076110
1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 115868570
methyl 2,2-dimethyl-1-[(1-methyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 166260928
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate (CID 79857506) is methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate is COC(=O)C1(NCC2CC2)CCCC1(C)C.
What is the InChIKey of methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is IESLDYVGHOFKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)7-4-8-13(12,11(15)16-3)14-9-10-5-6-10/h10,14H,4-9H2,1-3H3.
What are the key properties of methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate?
methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylmethylamino)-2,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 79857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).