4-methyl-2-naphthalen-2-ylcyclohexan-1-amine

C17H21N — CID 81013945

IUPAC4-methyl-2-naphthalen-2-ylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21N/c1-12-6-9-17(18)16(10-12)15-8-7-13-4-2-3-5-14(13)11-15/h2-5,7-8,11-12,16-17H,6,9-10,18H2,1H3
InChIKeyLGMMIVUJYXGWOX-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.07
Rot. Bonds1

About 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine

4-methyl-2-naphthalen-2-ylcyclohexan-1-amine (PubChem CID 81013945) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-naphthalen-2-ylcyclohexan-1-amine
PubChem CID81013945
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name4-methyl-2-naphthalen-2-ylcyclohexan-1-amine
SMILESCC1CCC(N)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H21N/c1-12-6-9-17(18)16(10-12)15-8-7-13-4-2-3-5-14(13)11-15/h2-5,7-8,11-12,16-17H,6,9-10,18H2,1H3
InChIKeyLGMMIVUJYXGWOX-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine (CID 81013945) is 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine is CC1CCC(N)C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine?
The InChIKey is LGMMIVUJYXGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-12-6-9-17(18)16(10-12)15-8-7-13-4-2-3-5-14(13)11-15/h2-5,7-8,11-12,16-17H,6,9-10,18H2,1H3.
What are the key properties of 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine?
4-methyl-2-naphthalen-2-ylcyclohexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81013945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).