N-(18-methylnonadecyl)aniline;hydrochloride

C26H48ClN — CID 173012868

IUPACN-(18-methylnonadecyl)aniline;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCNc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-25(2)21-17-14-12-10-8-6-4-3-5-7-9-11-13-15-20-24-27-26-22-18-16-19-23-26;/h16,18-19,22-23,25,27H,3-15,17,20-21,24H2,1-2H3;1H
InChIKeyCHMUFDYNGNBLBQ-UHFFFAOYSA-N
MW410.13 g/mol
LogP9.42
Rot. Bonds19

About N-(18-methylnonadecyl)aniline;hydrochloride

N-(18-methylnonadecyl)aniline;hydrochloride (PubChem CID 173012868) has the molecular formula C26H48ClN and a molecular weight of 410.13 g/mol. Its IUPAC name is N-(18-methylnonadecyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-(18-methylnonadecyl)aniline;hydrochloride
PubChem CID173012868
Molecular FormulaC26H48ClN
Molecular Weight410.13 g/mol
Exact Mass409.35
IUPAC NameN-(18-methylnonadecyl)aniline;hydrochloride
SMILESCC(C)CCCCCCCCCCCCCCCCCNc1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-25(2)21-17-14-12-10-8-6-4-3-5-7-9-11-13-15-20-24-27-26-22-18-16-19-23-26;/h16,18-19,22-23,25,27H,3-15,17,20-21,24H2,1-2H3;1H
InChIKeyCHMUFDYNGNBLBQ-UHFFFAOYSA-N
XLogP9.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 59.42
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-(18-methylnonadec-9-enyl)aniline
CID 154089870
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-(12-methyltridecylamino)benzoic acid
CID 21057297
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-nonadecylaniline
CID 54509054
1-anilinoheptacosan-13-ol
CID 151401190
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
5-N-(7-methyloctyl)pyridine-2,5-diamine
CID 107814726
3-(7-methyloctylamino)benzonitrile
CID 114004105
N-heptylaniline;hydrate
CID 174886464
N'-phenylheptane-1,7-diamine
CID 61149618
10-anilinodecan-1-ol
CID 10955954

Frequently Asked Questions

What is the IUPAC name of N-(18-methylnonadecyl)aniline;hydrochloride?
The IUPAC name of N-(18-methylnonadecyl)aniline;hydrochloride (CID 173012868) is N-(18-methylnonadecyl)aniline;hydrochloride.
What is the SMILES notation for N-(18-methylnonadecyl)aniline;hydrochloride?
The canonical SMILES for N-(18-methylnonadecyl)aniline;hydrochloride is CC(C)CCCCCCCCCCCCCCCCCNc1ccccc1.Cl.
What is the InChIKey of N-(18-methylnonadecyl)aniline;hydrochloride?
The InChIKey is CHMUFDYNGNBLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N.ClH/c1-25(2)21-17-14-12-10-8-6-4-3-5-7-9-11-13-15-20-24-27-26-22-18-16-19-23-26;/h16,18-19,22-23,25,27H,3-15,17,20-21,24H2,1-2H3;1H.
What are the key properties of N-(18-methylnonadecyl)aniline;hydrochloride?
N-(18-methylnonadecyl)aniline;hydrochloride has a molecular weight of 410.13 g/mol, XLogP of 9.42, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(18-methylnonadecyl)aniline;hydrochloride is sourced from PubChem (CID 173012868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).