2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine

C17H27N — CID 64760321

IUPAC2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NC(C)Cc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-13-9-10-14(2)17(11-13)18-15(3)12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3
InChIKeyZGGBRVCTHCRNDR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.03
Rot. Bonds4

About 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine

2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine (PubChem CID 64760321) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
PubChem CID64760321
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NC(C)Cc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-13-9-10-14(2)17(11-13)18-15(3)12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3
InChIKeyZGGBRVCTHCRNDR-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine (CID 64760321) is 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine is CC1CCC(C)C(NC(C)Cc2ccccc2)C1.
What is the InChIKey of 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is ZGGBRVCTHCRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-9-10-14(2)17(11-13)18-15(3)12-16-7-5-4-6-8-16/h4-8,13-15,17-18H,9-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine?
2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-phenylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 64760321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).