N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine

C17H27N — CID 55200279

IUPACN-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(C)cc(C)c1
InChIInChI=1S/C17H27N/c1-4-16-7-5-6-8-17(16)18-12-15-10-13(2)9-14(3)11-15/h9-11,16-18H,4-8,12H2,1-3H3
InChIKeyPZZWQUNNKLIBFE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine

N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 55200279) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID55200279
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(C)cc(C)c1
InChIInChI=1S/C17H27N/c1-4-16-7-5-6-8-17(16)18-12-15-10-13(2)9-14(3)11-15/h9-11,16-18H,4-8,12H2,1-3H3
InChIKeyPZZWQUNNKLIBFE-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine (CID 55200279) is N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1cc(C)cc(C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is PZZWQUNNKLIBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-16-7-5-6-8-17(16)18-12-15-10-13(2)9-14(3)11-15/h9-11,16-18H,4-8,12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine?
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 55200279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).