2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C17H34N2 — CID 63218407

IUPAC2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN1CCCC1(C)C
InChIInChI=1S/C17H34N2/c1-13(2)14-7-8-16(18-5)15(11-14)12-19-10-6-9-17(19,3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyBAOFZBGHMNCUTL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63218407) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63218407
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN1CCCC1(C)C
InChIInChI=1S/C17H34N2/c1-13(2)14-7-8-16(18-5)15(11-14)12-19-10-6-9-17(19,3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyBAOFZBGHMNCUTL-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
N-methyl-4-propan-2-yl-2-(thiomorpholin-4-ylmethyl)cyclohexan-1-amine
CID 62708118
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 116522625
2-[1-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]piperidin-2-yl]ethanol
CID 62707752
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
N-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 102899065
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]cycloheptan-1-ol
CID 63218233
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107401543

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63218407) is 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CN1CCCC1(C)C.
What is the InChIKey of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BAOFZBGHMNCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)14-7-8-16(18-5)15(11-14)12-19-10-6-9-17(19,3)4/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63218407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).