N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine

C12H24N2 — CID 13202819

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine
SMILESCN1CCCC1CNC1CCCCC1
InChIInChI=1S/C12H24N2/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11/h11-13H,2-10H2,1H3
InChIKeyHULSUHDEOHXHFP-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine

N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine (PubChem CID 13202819) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine
PubChem CID13202819
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine
SMILESCN1CCCC1CNC1CCCCC1
InChIInChI=1S/C12H24N2/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11/h11-13H,2-10H2,1H3
InChIKeyHULSUHDEOHXHFP-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine (CID 13202819) is N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine is CN1CCCC1CNC1CCCCC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine?
The InChIKey is HULSUHDEOHXHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-14-9-5-8-12(14)10-13-11-6-3-2-4-7-11/h11-13H,2-10H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine?
N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 13202819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).