5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine

C18H29N — CID 81350586

IUPAC5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C18H29N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3/t14?,15-,17?,18?/m1/s1
InChIKeyYSKCUNSMJCLZAK-YCPQDUGXSA-N
MW259.44 g/mol
LogP4.80
Rot. Bonds4

About 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81350586) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID81350586
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C18H29N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3/t14?,15-,17?,18?/m1/s1
InChIKeyYSKCUNSMJCLZAK-YCPQDUGXSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine (CID 81350586) is 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N[C@H](C)c2ccccc2)C1.
What is the InChIKey of 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is YSKCUNSMJCLZAK-YCPQDUGXSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17-19H,10-12H2,1-4H3/t14?,15-,17?,18?/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81350586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).