N-[(2-ethenylphenyl)methyl]dodecan-1-amine

C21H35N — CID 19833787

IUPACN-[(2-ethenylphenyl)methyl]dodecan-1-amine
SMILESC=Cc1ccccc1CNCCCCCCCCCCCC
InChIInChI=1S/C21H35N/c1-3-5-6-7-8-9-10-11-12-15-18-22-19-21-17-14-13-16-20(21)4-2/h4,13-14,16-17,22H,2-3,5-12,15,18-19H2,1H3
InChIKeyKOUFZOQQCLUVEU-UHFFFAOYSA-N
MW301.52 g/mol
LogP6.34
Rot. Bonds14

About N-[(2-ethenylphenyl)methyl]dodecan-1-amine

N-[(2-ethenylphenyl)methyl]dodecan-1-amine (PubChem CID 19833787) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl]dodecan-1-amine.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl]dodecan-1-amine
PubChem CID19833787
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC NameN-[(2-ethenylphenyl)methyl]dodecan-1-amine
SMILESC=Cc1ccccc1CNCCCCCCCCCCCC
InChIInChI=1S/C21H35N/c1-3-5-6-7-8-9-10-11-12-15-18-22-19-21-17-14-13-16-20(21)4-2/h4,13-14,16-17,22H,2-3,5-12,15,18-19H2,1H3
InChIKeyKOUFZOQQCLUVEU-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
1-ethenyl-2-pentylbenzene
CID 22171756
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]octan-1-amine
CID 4722837
1-(dodecylsulfanylmethyl)-2-ethenylbenzene
CID 70484511
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
(2-ethenylphenyl)methyl-trihexylazanium
CID 19774000
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl]dodecan-1-amine?
The IUPAC name of N-[(2-ethenylphenyl)methyl]dodecan-1-amine (CID 19833787) is N-[(2-ethenylphenyl)methyl]dodecan-1-amine.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl]dodecan-1-amine?
The canonical SMILES for N-[(2-ethenylphenyl)methyl]dodecan-1-amine is C=Cc1ccccc1CNCCCCCCCCCCCC.
What is the InChIKey of N-[(2-ethenylphenyl)methyl]dodecan-1-amine?
The InChIKey is KOUFZOQQCLUVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-3-5-6-7-8-9-10-11-12-15-18-22-19-21-17-14-13-16-20(21)4-2/h4,13-14,16-17,22H,2-3,5-12,15,18-19H2,1H3.
What are the key properties of N-[(2-ethenylphenyl)methyl]dodecan-1-amine?
N-[(2-ethenylphenyl)methyl]dodecan-1-amine has a molecular weight of 301.52 g/mol, XLogP of 6.34, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl]dodecan-1-amine is sourced from PubChem (CID 19833787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).