N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine

C20H27N — CID 65399024

IUPACN-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)C1CCCCCC1
InChIInChI=1S/C20H27N/c1-2-21-20(17-10-5-3-4-6-11-17)19-14-13-16-9-7-8-12-18(16)15-19/h7-9,12-15,17,20-21H,2-6,10-11H2,1H3
InChIKeyKPGKMEUWVBFXDI-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.46
Rot. Bonds4

About N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine

N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine (PubChem CID 65399024) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
PubChem CID65399024
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)C1CCCCCC1
InChIInChI=1S/C20H27N/c1-2-21-20(17-10-5-3-4-6-11-17)19-14-13-16-9-7-8-12-18(16)15-19/h7-9,12-15,17,20-21H,2-6,10-11H2,1H3
InChIKeyKPGKMEUWVBFXDI-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine (CID 65399024) is N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine is CCNC(c1ccc2ccccc2c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine?
The InChIKey is KPGKMEUWVBFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-21-20(17-10-5-3-4-6-11-17)19-14-13-16-9-7-8-12-18(16)15-19/h7-9,12-15,17,20-21H,2-6,10-11H2,1H3.
What are the key properties of N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine?
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine is sourced from PubChem (CID 65399024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).