3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

C15H30N2 — CID 81422985

IUPAC3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCC(CNC1CCCC(C)(C)C1)N1CCCC1
InChIInChI=1S/C15H30N2/c1-13(17-9-4-5-10-17)12-16-14-7-6-8-15(2,3)11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyGJQXNDWIWHGNES-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (PubChem CID 81422985) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
PubChem CID81422985
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCC(CNC1CCCC(C)(C)C1)N1CCCC1
InChIInChI=1S/C15H30N2/c1-13(17-9-4-5-10-17)12-16-14-7-6-8-15(2,3)11-14/h13-14,16H,4-12H2,1-3H3
InChIKeyGJQXNDWIWHGNES-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
3,3-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 80705127
N-(2-piperidin-1-ylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448376
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54899357
1-(dimethylamino)-3-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 81422257
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (CID 81422985) is 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is CC(CNC1CCCC(C)(C)C1)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is GJQXNDWIWHGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(17-9-4-5-10-17)12-16-14-7-6-8-15(2,3)11-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 81422985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).