2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine

C18H29N — CID 64762295

IUPAC2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(C)(C)c2ccccc2)C1C
InChIInChI=1S/C18H29N/c1-14-9-8-12-17(15(14)2)19-13-18(3,4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17,19H,8-9,12-13H2,1-4H3
InChIKeyOQHDNTZLYWSLSD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.38
Rot. Bonds4

About 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine

2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine (PubChem CID 64762295) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
PubChem CID64762295
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(C)(C)c2ccccc2)C1C
InChIInChI=1S/C18H29N/c1-14-9-8-12-17(15(14)2)19-13-18(3,4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17,19H,8-9,12-13H2,1-4H3
InChIKeyOQHDNTZLYWSLSD-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine (CID 64762295) is 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine is CC1CCCC(NCC(C)(C)c2ccccc2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine?
The InChIKey is OQHDNTZLYWSLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-9-8-12-17(15(14)2)19-13-18(3,4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17,19H,8-9,12-13H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine?
2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64762295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).