N-(18-methylnonadec-9-enyl)aniline

C26H45N — CID 154089870

IUPACN-(18-methylnonadec-9-enyl)aniline
SMILESCC(C)CCCCCCCC=CCCCCCCCCNc1ccccc1
InChIInChI=1S/C26H45N/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/h3-4,16,18-19,22-23,25,27H,5-15,17,20-21,24H2,1-2H3
InChIKeyYTXJVVXVWHWDAR-UHFFFAOYSA-N
MW371.65 g/mol
LogP8.77
Rot. Bonds18

About N-(18-methylnonadec-9-enyl)aniline

N-(18-methylnonadec-9-enyl)aniline (PubChem CID 154089870) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is N-(18-methylnonadec-9-enyl)aniline.

Molecular Properties

Compound NameN-(18-methylnonadec-9-enyl)aniline
PubChem CID154089870
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC NameN-(18-methylnonadec-9-enyl)aniline
SMILESCC(C)CCCCCCCC=CCCCCCCCCNc1ccccc1
InChIInChI=1S/C26H45N/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/h3-4,16,18-19,22-23,25,27H,5-15,17,20-21,24H2,1-2H3
InChIKeyYTXJVVXVWHWDAR-UHFFFAOYSA-N
XLogP8.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N-[(E)-hept-4-enyl]aniline
CID 101291016
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CID 141141781
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
N-oct-7-enylaniline
CID 101291024
4-(12-methyltridecylamino)benzoic acid
CID 21057297
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
18-methyl-N-oxidononadec-9-en-1-amine
CID 173000283
(E)-2,13-dimethyltetradec-7-ene
CID 176630990

Frequently Asked Questions

What is the IUPAC name of N-(18-methylnonadec-9-enyl)aniline?
The IUPAC name of N-(18-methylnonadec-9-enyl)aniline (CID 154089870) is N-(18-methylnonadec-9-enyl)aniline.
What is the SMILES notation for N-(18-methylnonadec-9-enyl)aniline?
The canonical SMILES for N-(18-methylnonadec-9-enyl)aniline is CC(C)CCCCCCCC=CCCCCCCCCNc1ccccc1.
What is the InChIKey of N-(18-methylnonadec-9-enyl)aniline?
The InChIKey is YTXJVVXVWHWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N/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/h3-4,16,18-19,22-23,25,27H,5-15,17,20-21,24H2,1-2H3.
What are the key properties of N-(18-methylnonadec-9-enyl)aniline?
N-(18-methylnonadec-9-enyl)aniline has a molecular weight of 371.65 g/mol, XLogP of 8.77, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(18-methylnonadec-9-enyl)aniline is sourced from PubChem (CID 154089870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).