N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine

C19H23N — CID 139062263

IUPACN-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C19H23N/c1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h5-6,9-15,17H,2-4,7-8H2,1H3/b20-14+/t15-/m0/s1
InChIKeyMBGKWWPTLYCMHB-AUQXIXNCSA-N
MW265.40 g/mol
LogP5.23
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine

N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine (PubChem CID 139062263) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine
PubChem CID139062263
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C19H23N/c1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h5-6,9-15,17H,2-4,7-8H2,1H3/b20-14+/t15-/m0/s1
InChIKeyMBGKWWPTLYCMHB-AUQXIXNCSA-N
XLogP5.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine (CID 139062263) is N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine is C[C@H](/N=C/c1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine?
The InChIKey is MBGKWWPTLYCMHB-AUQXIXNCSA-N. The full InChI is InChI=1S/C19H23N/c1-15(17-7-3-2-4-8-17)20-14-16-11-12-18-9-5-6-10-19(18)13-16/h5-6,9-15,17H,2-4,7-8H2,1H3/b20-14+/t15-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine?
N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine has a molecular weight of 265.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1-naphthalen-2-ylmethanimine is sourced from PubChem (CID 139062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).