4-[(Z)-2-methylpent-3-enyl]aniline

C12H17N — CID 83928464

IUPAC4-[(Z)-2-methylpent-3-enyl]aniline
SMILESC/C=C\C(C)Cc1ccc(N)cc1
InChIInChI=1S/C12H17N/c1-3-4-10(2)9-11-5-7-12(13)8-6-11/h3-8,10H,9,13H2,1-2H3/b4-3-
InChIKeyPZVWZMBDTSCBNN-ARJAWSKDSA-N
MW175.27 g/mol
LogP3.02
Rot. Bonds3

About 4-[(Z)-2-methylpent-3-enyl]aniline

4-[(Z)-2-methylpent-3-enyl]aniline (PubChem CID 83928464) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-[(Z)-2-methylpent-3-enyl]aniline.

Molecular Properties

Compound Name4-[(Z)-2-methylpent-3-enyl]aniline
PubChem CID83928464
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-[(Z)-2-methylpent-3-enyl]aniline
SMILESC/C=C\C(C)Cc1ccc(N)cc1
InChIInChI=1S/C12H17N/c1-3-4-10(2)9-11-5-7-12(13)8-6-11/h3-8,10H,9,13H2,1-2H3/b4-3-
InChIKeyPZVWZMBDTSCBNN-ARJAWSKDSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethoxyethyl)aniline
CID 18173527
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
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(4R)-5-(4-aminophenyl)-4-methylpentanal
CID 90273765
4-(2-nitropropyl)aniline
CID 14004210
1-(4-aminophenyl)propane-2-sulfonamide
CID 66973712
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
4-[2-[bis(prop-2-enyl)amino]propyl]aniline
CID 82255975
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
tert-butyl (E,4S)-5-(4-aminophenyl)-2,4-dimethylpent-2-enoate
CID 160941149
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
1-chloro-4-(2-methylbut-3-enyl)benzene
CID 83931184
2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-methylpent-3-enyl]aniline?
The IUPAC name of 4-[(Z)-2-methylpent-3-enyl]aniline (CID 83928464) is 4-[(Z)-2-methylpent-3-enyl]aniline.
What is the SMILES notation for 4-[(Z)-2-methylpent-3-enyl]aniline?
The canonical SMILES for 4-[(Z)-2-methylpent-3-enyl]aniline is C/C=C\C(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[(Z)-2-methylpent-3-enyl]aniline?
The InChIKey is PZVWZMBDTSCBNN-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-10(2)9-11-5-7-12(13)8-6-11/h3-8,10H,9,13H2,1-2H3/b4-3-.
What are the key properties of 4-[(Z)-2-methylpent-3-enyl]aniline?
4-[(Z)-2-methylpent-3-enyl]aniline has a molecular weight of 175.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-methylpent-3-enyl]aniline is sourced from PubChem (CID 83928464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).