N-methyl-N-[(E)-pent-3-enyl]aniline

C12H17N — CID 162403387

IUPACN-methyl-N-[(E)-pent-3-enyl]aniline
SMILESC/C=C/CCN(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-4-8-11-13(2)12-9-6-5-7-10-12/h3-7,9-10H,8,11H2,1-2H3/b4-3+
InChIKeyGZADIJOISJAJSZ-ONEGZZNKSA-N
MW175.27 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-N-[(E)-pent-3-enyl]aniline

N-methyl-N-[(E)-pent-3-enyl]aniline (PubChem CID 162403387) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-methyl-N-[(E)-pent-3-enyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-pent-3-enyl]aniline
PubChem CID162403387
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-methyl-N-[(E)-pent-3-enyl]aniline
SMILESC/C=C/CCN(C)c1ccccc1
InChIInChI=1S/C12H17N/c1-3-4-8-11-13(2)12-9-6-5-7-10-12/h3-7,9-10H,8,11H2,1-2H3/b4-3+
InChIKeyGZADIJOISJAJSZ-ONEGZZNKSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
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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ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
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3-(N-methylanilino)-1-phenylpropan-1-one
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N-methyl-N-(3-phenylbut-3-enyl)aniline
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N-dodecyl-N-methylaniline;hydrochloride
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ethene;N'-methyl-N'-phenylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-pent-3-enyl]aniline?
The IUPAC name of N-methyl-N-[(E)-pent-3-enyl]aniline (CID 162403387) is N-methyl-N-[(E)-pent-3-enyl]aniline.
What is the SMILES notation for N-methyl-N-[(E)-pent-3-enyl]aniline?
The canonical SMILES for N-methyl-N-[(E)-pent-3-enyl]aniline is C/C=C/CCN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-pent-3-enyl]aniline?
The InChIKey is GZADIJOISJAJSZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-8-11-13(2)12-9-6-5-7-10-12/h3-7,9-10H,8,11H2,1-2H3/b4-3+.
What are the key properties of N-methyl-N-[(E)-pent-3-enyl]aniline?
N-methyl-N-[(E)-pent-3-enyl]aniline has a molecular weight of 175.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-pent-3-enyl]aniline is sourced from PubChem (CID 162403387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).