2-dodecyl-N,N-dimethylaniline;hydrobromide

C20H36BrN — CID 175216326

IUPAC2-dodecyl-N,N-dimethylaniline;hydrobromide
SMILESBr.CCCCCCCCCCCCc1ccccc1N(C)C
InChIInChI=1S/C20H35N.BrH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2)3;/h14-15,17-18H,4-13,16H2,1-3H3;1H
InChIKeyHMIQQRCHYJJZHT-UHFFFAOYSA-N
MW370.42 g/mol
LogP6.79
Rot. Bonds12

About 2-dodecyl-N,N-dimethylaniline;hydrobromide

2-dodecyl-N,N-dimethylaniline;hydrobromide (PubChem CID 175216326) has the molecular formula C20H36BrN and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-dodecyl-N,N-dimethylaniline;hydrobromide.

Molecular Properties

Compound Name2-dodecyl-N,N-dimethylaniline;hydrobromide
PubChem CID175216326
Molecular FormulaC20H36BrN
Molecular Weight370.42 g/mol
Exact Mass369.20
IUPAC Name2-dodecyl-N,N-dimethylaniline;hydrobromide
SMILESBr.CCCCCCCCCCCCc1ccccc1N(C)C
InChIInChI=1S/C20H35N.BrH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2)3;/h14-15,17-18H,4-13,16H2,1-3H3;1H
InChIKeyHMIQQRCHYJJZHT-UHFFFAOYSA-N
XLogP6.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 56.79
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,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
2-heptyl-N,N-dimethylaniline
CID 69464807
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-N,N-dimethylaniline;hydrobromide?
The IUPAC name of 2-dodecyl-N,N-dimethylaniline;hydrobromide (CID 175216326) is 2-dodecyl-N,N-dimethylaniline;hydrobromide.
What is the SMILES notation for 2-dodecyl-N,N-dimethylaniline;hydrobromide?
The canonical SMILES for 2-dodecyl-N,N-dimethylaniline;hydrobromide is Br.CCCCCCCCCCCCc1ccccc1N(C)C.
What is the InChIKey of 2-dodecyl-N,N-dimethylaniline;hydrobromide?
The InChIKey is HMIQQRCHYJJZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N.BrH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2)3;/h14-15,17-18H,4-13,16H2,1-3H3;1H.
What are the key properties of 2-dodecyl-N,N-dimethylaniline;hydrobromide?
2-dodecyl-N,N-dimethylaniline;hydrobromide has a molecular weight of 370.42 g/mol, XLogP of 6.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-N,N-dimethylaniline;hydrobromide is sourced from PubChem (CID 175216326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).