N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline

C15H23N — CID 142295227

IUPACN-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
SMILESC/C=C(\C)CC(C)CNc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-5-12(2)9-14(4)11-16-15-8-6-7-13(3)10-15/h5-8,10,14,16H,9,11H2,1-4H3/b12-5+
InChIKeyNQBIPONUQHKJGC-LFYBBSHMSA-N
MW217.36 g/mol
LogP4.40
Rot. Bonds5

About N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline

N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline (PubChem CID 142295227) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
PubChem CID142295227
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
SMILESC/C=C(\C)CC(C)CNc1cccc(C)c1
InChIInChI=1S/C15H23N/c1-5-12(2)9-14(4)11-16-15-8-6-7-13(3)10-15/h5-8,10,14,16H,9,11H2,1-4H3/b12-5+
InChIKeyNQBIPONUQHKJGC-LFYBBSHMSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 43103774
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CID 39236024
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
3-(3-methylanilino)propane-1,2-diol
CID 3016394
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline?
The IUPAC name of N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline (CID 142295227) is N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline.
What is the SMILES notation for N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline?
The canonical SMILES for N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline is C/C=C(\C)CC(C)CNc1cccc(C)c1.
What is the InChIKey of N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline?
The InChIKey is NQBIPONUQHKJGC-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H23N/c1-5-12(2)9-14(4)11-16-15-8-6-7-13(3)10-15/h5-8,10,14,16H,9,11H2,1-4H3/b12-5+.
What are the key properties of N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline?
N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline is sourced from PubChem (CID 142295227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).