1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine

C13H26N2 — CID 68643506

IUPAC1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2CCCCC2)C1
InChIInChI=1S/C13H26N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyWURNBIZIJKRRCQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds3

About 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine

1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 68643506) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID68643506
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC2CCCCC2)C1
InChIInChI=1S/C13H26N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyWURNBIZIJKRRCQ-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine (CID 68643506) is 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WURNBIZIJKRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine?
1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 68643506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).