N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline

C24H34N2 — CID 145300491

IUPACN,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline
SMILESCCCC(C)CCNc1cccc(/C(C)=C/c2cc(C)ccc2NC)c1
InChIInChI=1S/C24H34N2/c1-6-8-18(2)13-14-26-23-10-7-9-21(17-23)20(4)16-22-15-19(3)11-12-24(22)25-5/h7,9-12,15-18,25-26H,6,8,13-14H2,1-5H3/b20-16+
InChIKeyVPJZCAVMIWDXLQ-CAPFRKAQSA-N
MW350.55 g/mol
LogP6.84
Rot. Bonds9

About N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline

N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline (PubChem CID 145300491) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline
PubChem CID145300491
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline
SMILESCCCC(C)CCNc1cccc(/C(C)=C/c2cc(C)ccc2NC)c1
InChIInChI=1S/C24H34N2/c1-6-8-18(2)13-14-26-23-10-7-9-21(17-23)20(4)16-22-15-19(3)11-12-24(22)25-5/h7,9-12,15-18,25-26H,6,8,13-14H2,1-5H3/b20-16+
InChIKeyVPJZCAVMIWDXLQ-CAPFRKAQSA-N
XLogP6.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptane;1-methyl-2-[(E)-2-(3-methylphenyl)prop-1-enyl]benzene
CID 145300542
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
1-[3-[(4-amino-3-methylbutyl)amino]phenyl]ethanone
CID 112509851
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
methyl 3-[(4-amino-3-methylbutyl)amino]benzoate
CID 114987360
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
3-chloro-N-(2-methylpentyl)aniline
CID 43105827
3-iodo-N-(2-methylpentyl)aniline
CID 43124492
N,3-dimethyl-2-(3-methylhexyl)aniline
CID 70562888
ethane;1-ethyl-4-methyl-2-[(E)-2-(3-methylphenyl)prop-1-enyl]benzene;1-N-methyl-3-N-(1-methylpiperidin-4-yl)-1-N-propan-2-ylhexane-1,3-diamine
CID 145300589
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
3-(3-methylbutylamino)benzenecarboximidamide
CID 70080138

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline?
The IUPAC name of N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline (CID 145300491) is N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline.
What is the SMILES notation for N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline?
The canonical SMILES for N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline is CCCC(C)CCNc1cccc(/C(C)=C/c2cc(C)ccc2NC)c1.
What is the InChIKey of N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline?
The InChIKey is VPJZCAVMIWDXLQ-CAPFRKAQSA-N. The full InChI is InChI=1S/C24H34N2/c1-6-8-18(2)13-14-26-23-10-7-9-21(17-23)20(4)16-22-15-19(3)11-12-24(22)25-5/h7,9-12,15-18,25-26H,6,8,13-14H2,1-5H3/b20-16+.
What are the key properties of N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline?
N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline has a molecular weight of 350.55 g/mol, XLogP of 6.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(E)-2-[3-(3-methylhexylamino)phenyl]prop-1-enyl]aniline is sourced from PubChem (CID 145300491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).