[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate

C15H28N2O2 — CID 174784577

IUPAC[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-16-12-6-8-13(9-7-12)17-10-4-5-11-17/h12-13,16H,4-11H2,1-3H3
InChIKeyQGFXZZWADVSYAY-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.49
Rot. Bonds3

About [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate

[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate (PubChem CID 174784577) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate
PubChem CID174784577
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONC1CCC(N2CCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-16-12-6-8-13(9-7-12)17-10-4-5-11-17/h12-13,16H,4-11H2,1-3H3
InChIKeyQGFXZZWADVSYAY-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-methylcyclohexyl)amino] 2,2-dimethylpropanoate
CID 87830167
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
N-propan-2-yl-4-pyrrolidin-1-ylcyclohexan-1-amine
CID 178010020
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
1-cyclopropylpiperidine
CID 10909573
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137

Frequently Asked Questions

What is the IUPAC name of [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate?
The IUPAC name of [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate (CID 174784577) is [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate?
The canonical SMILES for [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONC1CCC(N2CCCC2)CC1.
What is the InChIKey of [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate?
The InChIKey is QGFXZZWADVSYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-16-12-6-8-13(9-7-12)17-10-4-5-11-17/h12-13,16H,4-11H2,1-3H3.
What are the key properties of [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate?
[(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate has a molecular weight of 268.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-pyrrolidin-1-ylcyclohexyl)amino] 2,2-dimethylpropanoate is sourced from PubChem (CID 174784577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).