N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine

C33H59N — CID 14420666

IUPACN-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
SMILESC=Cc1ccc(CN(CCCCCCCCCCCC)CCCCCCCCCCCC)cc1
InChIInChI=1S/C33H59N/c1-4-7-9-11-13-15-17-19-21-23-29-34(31-33-27-25-32(6-3)26-28-33)30-24-22-20-18-16-14-12-10-8-5-2/h6,25-28H,3-5,7-24,29-31H2,1-2H3
InChIKeySVSZYKYYLDPYIC-UHFFFAOYSA-N
MW469.84 g/mol
LogP10.97
Rot. Bonds25

About N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine

N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine (PubChem CID 14420666) has the molecular formula C33H59N and a molecular weight of 469.84 g/mol. Its IUPAC name is N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine.

Molecular Properties

Compound NameN-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
PubChem CID14420666
Molecular FormulaC33H59N
Molecular Weight469.84 g/mol
Exact Mass469.46
IUPAC NameN-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
SMILESC=Cc1ccc(CN(CCCCCCCCCCCC)CCCCCCCCCCCC)cc1
InChIInChI=1S/C33H59N/c1-4-7-9-11-13-15-17-19-21-23-29-34(31-33-27-25-32(6-3)26-28-33)30-24-22-20-18-16-14-12-10-8-5-2/h6,25-28H,3-5,7-24,29-31H2,1-2H3
InChIKeySVSZYKYYLDPYIC-UHFFFAOYSA-N
XLogP10.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.84
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
4-[[pentyl(propyl)amino]methyl]aniline;prop-1-ene
CID 171834524
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N,N-dioctyloctan-1-amine;4-ethenylbenzenesulfonic acid
CID 146593126
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine?
The IUPAC name of N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine (CID 14420666) is N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine.
What is the SMILES notation for N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine?
The canonical SMILES for N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine is C=Cc1ccc(CN(CCCCCCCCCCCC)CCCCCCCCCCCC)cc1.
What is the InChIKey of N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine?
The InChIKey is SVSZYKYYLDPYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H59N/c1-4-7-9-11-13-15-17-19-21-23-29-34(31-33-27-25-32(6-3)26-28-33)30-24-22-20-18-16-14-12-10-8-5-2/h6,25-28H,3-5,7-24,29-31H2,1-2H3.
What are the key properties of N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine?
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine has a molecular weight of 469.84 g/mol, XLogP of 10.97, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine is sourced from PubChem (CID 14420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).