N-methyl-3-naphthalen-1-ylcyclohexan-1-amine

C17H21N — CID 59830952

IUPACN-methyl-3-naphthalen-1-ylcyclohexan-1-amine
SMILESCNC1CCCC(c2cccc3ccccc23)C1
InChIInChI=1S/C17H21N/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-3,5-7,10-11,14-15,18H,4,8-9,12H2,1H3
InChIKeyBRTMANQDOHXNPK-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.09
Rot. Bonds2

About N-methyl-3-naphthalen-1-ylcyclohexan-1-amine

N-methyl-3-naphthalen-1-ylcyclohexan-1-amine (PubChem CID 59830952) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-ylcyclohexan-1-amine
PubChem CID59830952
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-3-naphthalen-1-ylcyclohexan-1-amine
SMILESCNC1CCCC(c2cccc3ccccc23)C1
InChIInChI=1S/C17H21N/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-3,5-7,10-11,14-15,18H,4,8-9,12H2,1H3
InChIKeyBRTMANQDOHXNPK-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-1-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-ylcyclohexan-1-amine (CID 59830952) is N-methyl-3-naphthalen-1-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-ylcyclohexan-1-amine is CNC1CCCC(c2cccc3ccccc23)C1.
What is the InChIKey of N-methyl-3-naphthalen-1-ylcyclohexan-1-amine?
The InChIKey is BRTMANQDOHXNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-18-15-9-4-8-14(12-15)17-11-5-7-13-6-2-3-10-16(13)17/h2-3,5-7,10-11,14-15,18H,4,8-9,12H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-ylcyclohexan-1-amine?
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-ylcyclohexan-1-amine is sourced from PubChem (CID 59830952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).