2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine

C13H26N2 — CID 63219990

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1N1CCCC1(C)C
InChIInChI=1S/C13H26N2/c1-13(2)9-6-10-15(13)12-8-5-4-7-11(12)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyNTVQBSGSQKSWIP-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine

2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 63219990) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
PubChem CID63219990
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1N1CCCC1(C)C
InChIInChI=1S/C13H26N2/c1-13(2)9-6-10-15(13)12-8-5-4-7-11(12)14-3/h11-12,14H,4-10H2,1-3H3
InChIKeyNTVQBSGSQKSWIP-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine (CID 63219990) is 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine is CNC1CCCCC1N1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is NTVQBSGSQKSWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)9-6-10-15(13)12-8-5-4-7-11(12)14-3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine?
2-(2,2-dimethylpyrrolidin-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 2 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)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63219990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).