2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

C15H31N — CID 81024627

IUPAC2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CC1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H31N/c1-12(2)10-13-8-6-7-9-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyBDFUDEFZKUYQKL-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds4

About 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81024627) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81024627
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)CC1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H31N/c1-12(2)10-13-8-6-7-9-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3
InChIKeyBDFUDEFZKUYQKL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine (CID 81024627) is 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is CC(C)CC1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is BDFUDEFZKUYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)10-13-8-6-7-9-14(13)11-16-15(3,4)5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).