N-[(E)-hex-4-enyl]-2-methylaniline

C13H19N — CID 70268185

IUPACN-[(E)-hex-4-enyl]-2-methylaniline
SMILESC/C=C/CCCNc1ccccc1C
InChIInChI=1S/C13H19N/c1-3-4-5-8-11-14-13-10-7-6-9-12(13)2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3/b4-3+
InChIKeyBCOKCQBLNGENAA-ONEGZZNKSA-N
MW189.30 g/mol
LogP3.76
Rot. Bonds5

About N-[(E)-hex-4-enyl]-2-methylaniline

N-[(E)-hex-4-enyl]-2-methylaniline (PubChem CID 70268185) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(E)-hex-4-enyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(E)-hex-4-enyl]-2-methylaniline
PubChem CID70268185
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(E)-hex-4-enyl]-2-methylaniline
SMILESC/C=C/CCCNc1ccccc1C
InChIInChI=1S/C13H19N/c1-3-4-5-8-11-14-13-10-7-6-9-12(13)2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3/b4-3+
InChIKeyBCOKCQBLNGENAA-ONEGZZNKSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.76
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

3-(2-methylanilino)propan-1-ol
CID 18005925
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N-(6-methoxyhexyl)-2-methylaniline
CID 59493757
2-methyl-N-(3-pyridin-2-ylpropyl)aniline
CID 83456107
N'-hydroxy-4-(2-methylanilino)butanimidamide
CID 77025856
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
methyl 3-(2-methylanilino)propanoate
CID 12805940
CID 175798397
CID 175798397
N-(3-bromobutyl)-2-methylaniline
CID 90819159
4-(2-methylanilino)butan-2-ol
CID 112693026
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hex-4-enyl]-2-methylaniline?
The IUPAC name of N-[(E)-hex-4-enyl]-2-methylaniline (CID 70268185) is N-[(E)-hex-4-enyl]-2-methylaniline.
What is the SMILES notation for N-[(E)-hex-4-enyl]-2-methylaniline?
The canonical SMILES for N-[(E)-hex-4-enyl]-2-methylaniline is C/C=C/CCCNc1ccccc1C.
What is the InChIKey of N-[(E)-hex-4-enyl]-2-methylaniline?
The InChIKey is BCOKCQBLNGENAA-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-5-8-11-14-13-10-7-6-9-12(13)2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-hex-4-enyl]-2-methylaniline?
N-[(E)-hex-4-enyl]-2-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hex-4-enyl]-2-methylaniline is sourced from PubChem (CID 70268185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).