N-[(E)-hept-4-enyl]aniline

C13H19N — CID 101291016

IUPACN-[(E)-hept-4-enyl]aniline
SMILESCC/C=C/CCCNc1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h3-4,6-8,10-11,14H,2,5,9,12H2,1H3/b4-3+
InChIKeyJNUSUDTXMIQPDL-ONEGZZNKSA-N
MW189.30 g/mol
LogP3.84
Rot. Bonds6

About N-[(E)-hept-4-enyl]aniline

N-[(E)-hept-4-enyl]aniline (PubChem CID 101291016) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(E)-hept-4-enyl]aniline.

Molecular Properties

Compound NameN-[(E)-hept-4-enyl]aniline
PubChem CID101291016
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(E)-hept-4-enyl]aniline
SMILESCC/C=C/CCCNc1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h3-4,6-8,10-11,14H,2,5,9,12H2,1H3/b4-3+
InChIKeyJNUSUDTXMIQPDL-ONEGZZNKSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.84
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

N-(5-dimethylsilylpent-4-enyl)aniline
CID 154485284
N-(18-methylnonadec-9-enyl)aniline
CID 154089870
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N-propylaniline
CID 12153
4-[[(E)-tetradec-4-enyl]amino]benzoic acid
CID 23334187
N-oct-7-enylaniline
CID 101291024
3-[4-(tetradec-4-enylamino)phenyl]prop-2-ynoic acid
CID 54256501
N'-pentan-3-yl-N-phenylpropane-1,3-diamine
CID 115721316
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-(4-butyloctyl)aniline
CID 175196464

Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-4-enyl]aniline?
The IUPAC name of N-[(E)-hept-4-enyl]aniline (CID 101291016) is N-[(E)-hept-4-enyl]aniline.
What is the SMILES notation for N-[(E)-hept-4-enyl]aniline?
The canonical SMILES for N-[(E)-hept-4-enyl]aniline is CC/C=C/CCCNc1ccccc1.
What is the InChIKey of N-[(E)-hept-4-enyl]aniline?
The InChIKey is JNUSUDTXMIQPDL-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h3-4,6-8,10-11,14H,2,5,9,12H2,1H3/b4-3+.
What are the key properties of N-[(E)-hept-4-enyl]aniline?
N-[(E)-hept-4-enyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-4-enyl]aniline is sourced from PubChem (CID 101291016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).