N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine

C16H23N — CID 55062661

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCC2CC=CCC2)c1
InChIInChI=1S/C16H23N/c1-14-6-5-9-15(12-14)10-11-17-13-16-7-3-2-4-8-16/h2-3,5-6,9,12,16-17H,4,7-8,10-11,13H2,1H3
InChIKeyRTCDYZNXHSUWHK-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.48
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine (PubChem CID 55062661) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
PubChem CID55062661
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CCNCC2CC=CCC2)c1
InChIInChI=1S/C16H23N/c1-14-6-5-9-15(12-14)10-11-17-13-16-7-3-2-4-8-16/h2-3,5-6,9,12,16-17H,4,7-8,10-11,13H2,1H3
InChIKeyRTCDYZNXHSUWHK-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.48
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-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-(cyclohex-3-en-1-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 60593302
1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776459
N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
CID 146000574
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
N-(cyclohex-3-en-1-ylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762884
2-[(cyclohex-3-en-1-ylmethylamino)methyl]-4-methylphenol
CID 63325012
4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexan-1-amine
CID 62313168
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine (CID 55062661) is N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CCNCC2CC=CCC2)c1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is RTCDYZNXHSUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-14-6-5-9-15(12-14)10-11-17-13-16-7-3-2-4-8-16/h2-3,5-6,9,12,16-17H,4,7-8,10-11,13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).