(E)-N-benzyl-4-ethylhex-4-en-1-amine

C15H23N — CID 25129055

IUPAC(E)-N-benzyl-4-ethylhex-4-en-1-amine
SMILESC/C=C(\CC)CCCNCc1ccccc1
InChIInChI=1S/C15H23N/c1-3-14(4-2)11-8-12-16-13-15-9-6-5-7-10-15/h3,5-7,9-10,16H,4,8,11-13H2,1-2H3/b14-3+
InChIKeyWVRZBPHGRJDCSB-LZWSPWQCSA-N
MW217.36 g/mol
LogP3.91
Rot. Bonds7

About (E)-N-benzyl-4-ethylhex-4-en-1-amine

(E)-N-benzyl-4-ethylhex-4-en-1-amine (PubChem CID 25129055) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (E)-N-benzyl-4-ethylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-4-ethylhex-4-en-1-amine
PubChem CID25129055
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(E)-N-benzyl-4-ethylhex-4-en-1-amine
SMILESC/C=C(\CC)CCCNCc1ccccc1
InChIInChI=1S/C15H23N/c1-3-14(4-2)11-8-12-16-13-15-9-6-5-7-10-15/h3,5-7,9-10,16H,4,8,11-13H2,1-2H3/b14-3+
InChIKeyWVRZBPHGRJDCSB-LZWSPWQCSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.91
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

azane;N-benzylbutan-1-amine
CID 175388745
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzylethanamine;tris(yttrium)
CID 158198357
N-benzyl-5-silylpentan-1-amine
CID 123625500
N-benzylpropan-1-amine;ethane;propane
CID 145164103
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[2-(benzylamino)ethyl]propanamide
CID 54513126

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-ethylhex-4-en-1-amine?
The IUPAC name of (E)-N-benzyl-4-ethylhex-4-en-1-amine (CID 25129055) is (E)-N-benzyl-4-ethylhex-4-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-4-ethylhex-4-en-1-amine?
The canonical SMILES for (E)-N-benzyl-4-ethylhex-4-en-1-amine is C/C=C(\CC)CCCNCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-ethylhex-4-en-1-amine?
The InChIKey is WVRZBPHGRJDCSB-LZWSPWQCSA-N. The full InChI is InChI=1S/C15H23N/c1-3-14(4-2)11-8-12-16-13-15-9-6-5-7-10-15/h3,5-7,9-10,16H,4,8,11-13H2,1-2H3/b14-3+.
What are the key properties of (E)-N-benzyl-4-ethylhex-4-en-1-amine?
(E)-N-benzyl-4-ethylhex-4-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-ethylhex-4-en-1-amine is sourced from PubChem (CID 25129055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).