N,N-dimethyl-2-nonadecylaniline;hydrochloride

C27H50ClN — CID 175204059

IUPACN,N-dimethyl-2-nonadecylaniline;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1N(C)C.Cl
InChIInChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-27(26)28(2)3;/h21-22,24-25H,4-20,23H2,1-3H3;1H
InChIKeyBNXIPWYXXZVEGX-UHFFFAOYSA-N
MW424.16 g/mol
LogP9.37
Rot. Bonds19

About N,N-dimethyl-2-nonadecylaniline;hydrochloride

N,N-dimethyl-2-nonadecylaniline;hydrochloride (PubChem CID 175204059) has the molecular formula C27H50ClN and a molecular weight of 424.16 g/mol. Its IUPAC name is N,N-dimethyl-2-nonadecylaniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-nonadecylaniline;hydrochloride
PubChem CID175204059
Molecular FormulaC27H50ClN
Molecular Weight424.16 g/mol
Exact Mass423.36
IUPAC NameN,N-dimethyl-2-nonadecylaniline;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCc1ccccc1N(C)C.Cl
InChIInChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-27(26)28(2)3;/h21-22,24-25H,4-20,23H2,1-3H3;1H
InChIKeyBNXIPWYXXZVEGX-UHFFFAOYSA-N
XLogP9.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.16
LogP ≤ 59.37
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

2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
2-heptyl-N,N-dimethylaniline
CID 69464807
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-nonadecylaniline;hydrochloride?
The IUPAC name of N,N-dimethyl-2-nonadecylaniline;hydrochloride (CID 175204059) is N,N-dimethyl-2-nonadecylaniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-nonadecylaniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-nonadecylaniline;hydrochloride is CCCCCCCCCCCCCCCCCCCc1ccccc1N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-2-nonadecylaniline;hydrochloride?
The InChIKey is BNXIPWYXXZVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25-27(26)28(2)3;/h21-22,24-25H,4-20,23H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-nonadecylaniline;hydrochloride?
N,N-dimethyl-2-nonadecylaniline;hydrochloride has a molecular weight of 424.16 g/mol, XLogP of 9.37, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-nonadecylaniline;hydrochloride is sourced from PubChem (CID 175204059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).