[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

C14H28N2 — CID 63217988

IUPAC[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1(C)CCCN1CC1(CN)CCCCC1
InChIInChI=1S/C14H28N2/c1-13(2)7-6-10-16(13)12-14(11-15)8-4-3-5-9-14/h3-12,15H2,1-2H3
InChIKeyQZIORLOBGKWXLL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds3

About [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine

[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 63217988) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID63217988
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCC1(C)CCCN1CC1(CN)CCCCC1
InChIInChI=1S/C14H28N2/c1-13(2)7-6-10-16(13)12-14(11-15)8-4-3-5-9-14/h3-12,15H2,1-2H3
InChIKeyQZIORLOBGKWXLL-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine (CID 63217988) is [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is CC1(C)CCCN1CC1(CN)CCCCC1.
What is the InChIKey of [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is QZIORLOBGKWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)7-6-10-16(13)12-14(11-15)8-4-3-5-9-14/h3-12,15H2,1-2H3.
What are the key properties of [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine?
[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 63217988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).