2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine

C19H23N — CID 17206520

IUPAC2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cccc3ccccc23)CCCC1
InChIInChI=1S/C19H23N/c1-2-7-16(8-3-1)13-14-20-15-18-11-6-10-17-9-4-5-12-19(17)18/h4-7,9-12,20H,1-3,8,13-15H2
InChIKeyMBZGXDPBMIXNFC-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.82
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 17206520) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID17206520
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESC1=C(CCNCc2cccc3ccccc23)CCCC1
InChIInChI=1S/C19H23N/c1-2-7-16(8-3-1)13-14-20-15-18-11-6-10-17-9-4-5-12-19(17)18/h4-7,9-12,20H,1-3,8,13-15H2
InChIKeyMBZGXDPBMIXNFC-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664517
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210027
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029871
2-(cyclohexen-1-yl)-N-[(2,6-difluorophenyl)methyl]ethanamine
CID 30056275
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzene-1,3-diol
CID 28620790
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 17210034
N-[(2-bromo-3-fluorophenyl)methyl]-2-(cyclopenten-1-yl)ethanamine
CID 114153936
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 17206520) is 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine is C1=C(CCNCc2cccc3ccccc23)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is MBZGXDPBMIXNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-7-16(8-3-1)13-14-20-15-18-11-6-10-17-9-4-5-12-19(17)18/h4-7,9-12,20H,1-3,8,13-15H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 17206520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).