4-dodecylaniline;nonadecane

C37H71N — CID 155059812

IUPAC4-dodecylaniline;nonadecane
SMILESCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCc1ccc(N)cc1
InChIInChI=1S/C19H40.C18H31N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h3-19H2,1-2H3;13-16H,2-12,19H2,1H3
InChIKeyHUHDKGPTJCDQPG-UHFFFAOYSA-N
MW529.98 g/mol
LogP13.39
Rot. Bonds27

About 4-dodecylaniline;nonadecane

4-dodecylaniline;nonadecane (PubChem CID 155059812) has the molecular formula C37H71N and a molecular weight of 529.98 g/mol. Its IUPAC name is 4-dodecylaniline;nonadecane.

Molecular Properties

Compound Name4-dodecylaniline;nonadecane
PubChem CID155059812
Molecular FormulaC37H71N
Molecular Weight529.98 g/mol
Exact Mass529.56
IUPAC Name4-dodecylaniline;nonadecane
SMILESCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCc1ccc(N)cc1
InChIInChI=1S/C19H40.C18H31N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h3-19H2,1-2H3;13-16H,2-12,19H2,1H3
InChIKeyHUHDKGPTJCDQPG-UHFFFAOYSA-N
XLogP13.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.98
LogP ≤ 513.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-hexadecylaniline
CID 571906
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[(4-octadecylphenyl)methyl]aniline
CID 67687267
buta-1,3-diene;ethane;4-octylaniline
CID 143848294
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
1-butyl-4-nonylbenzene
CID 59545302
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
CID 22919480
4-[1-[4-[5-[4-[1-(4-aminophenyl)hexyl]phenyl]pentyl]phenyl]hexyl]aniline
CID 22920456
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067

Frequently Asked Questions

What is the IUPAC name of 4-dodecylaniline;nonadecane?
The IUPAC name of 4-dodecylaniline;nonadecane (CID 155059812) is 4-dodecylaniline;nonadecane.
What is the SMILES notation for 4-dodecylaniline;nonadecane?
The canonical SMILES for 4-dodecylaniline;nonadecane is CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCc1ccc(N)cc1.
What is the InChIKey of 4-dodecylaniline;nonadecane?
The InChIKey is HUHDKGPTJCDQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.C18H31N/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h3-19H2,1-2H3;13-16H,2-12,19H2,1H3.
What are the key properties of 4-dodecylaniline;nonadecane?
4-dodecylaniline;nonadecane has a molecular weight of 529.98 g/mol, XLogP of 13.39, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecylaniline;nonadecane is sourced from PubChem (CID 155059812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).