4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine

C18H23N — CID 63407888

IUPAC4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N/c1-14-9-11-18(19,12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3
InChIKeyBLVCCSIGRNQAJG-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.29
Rot. Bonds2

About 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine

4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine (PubChem CID 63407888) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
PubChem CID63407888
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N/c1-14-9-11-18(19,12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3
InChIKeyBLVCCSIGRNQAJG-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine (CID 63407888) is 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine is CC1CCC(N)(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is BLVCCSIGRNQAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-9-11-18(19,12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13,19H2,1H3.
What are the key properties of 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine?
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63407888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).