N-(4-phenylbutylidene)ethanimidamide

C12H16N2 — CID 134577417

IUPACN-(4-phenylbutylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/CCCc1ccccc1
InChIInChI=1S/C12H16N2/c1-11(13)14-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9H2,1H3/b13-11+,14-10+
InChIKeyVMGJMKCXICUNRQ-CKNIOMRDSA-N
MW188.27 g/mol
LogP3.08
Rot. Bonds4

About N-(4-phenylbutylidene)ethanimidamide

N-(4-phenylbutylidene)ethanimidamide (PubChem CID 134577417) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(4-phenylbutylidene)ethanimidamide.

Molecular Properties

Compound NameN-(4-phenylbutylidene)ethanimidamide
PubChem CID134577417
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-(4-phenylbutylidene)ethanimidamide
SMILES[H]/N=C(C)/N=C/CCCc1ccccc1
InChIInChI=1S/C12H16N2/c1-11(13)14-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9H2,1H3/b13-11+,14-10+
InChIKeyVMGJMKCXICUNRQ-CKNIOMRDSA-N
XLogP3.08
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019
dodec-4-enylbenzene
CID 54018856
heptadec-4-enylbenzene
CID 173163087
hexylbenzene;hydrogen peroxide
CID 90001206
4-phenylbutylbenzene
CID 141301927
5,5-difluoropent-4-enylbenzene
CID 15268524
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
4-(4-benzyliminobutyl)-N,N-dimethylaniline
CID 71281782
7-phenyl-N-prop-1-ynylheptan-1-imine
CID 91453883
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutylidene)ethanimidamide?
The IUPAC name of N-(4-phenylbutylidene)ethanimidamide (CID 134577417) is N-(4-phenylbutylidene)ethanimidamide.
What is the SMILES notation for N-(4-phenylbutylidene)ethanimidamide?
The canonical SMILES for N-(4-phenylbutylidene)ethanimidamide is [H]/N=C(C)/N=C/CCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutylidene)ethanimidamide?
The InChIKey is VMGJMKCXICUNRQ-CKNIOMRDSA-N. The full InChI is InChI=1S/C12H16N2/c1-11(13)14-10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9H2,1H3/b13-11+,14-10+.
What are the key properties of N-(4-phenylbutylidene)ethanimidamide?
N-(4-phenylbutylidene)ethanimidamide has a molecular weight of 188.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutylidene)ethanimidamide is sourced from PubChem (CID 134577417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).