[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine

C16H32N2 — CID 81321625

IUPAC[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CCC1(CN)N1CCC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-13-10-14(2,3)6-7-16(13,11-17)18-9-8-15(4,5)12-18/h13H,6-12,17H2,1-5H3
InChIKeySRZODYIONHTUBH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

About [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine

[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine (PubChem CID 81321625) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
PubChem CID81321625
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
SMILESCC1CC(C)(C)CCC1(CN)N1CCC(C)(C)C1
InChIInChI=1S/C16H32N2/c1-13-10-14(2,3)6-7-16(13,11-17)18-9-8-15(4,5)12-18/h13H,6-12,17H2,1-5H3
InChIKeySRZODYIONHTUBH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine (CID 81321625) is [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine is CC1CC(C)(C)CCC1(CN)N1CCC(C)(C)C1.
What is the InChIKey of [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
The InChIKey is SRZODYIONHTUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-10-14(2,3)6-7-16(13,11-17)18-9-8-15(4,5)12-18/h13H,6-12,17H2,1-5H3.
What are the key properties of [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine?
[1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylpyrrolidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine is sourced from PubChem (CID 81321625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).