N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide

C18H18N2 — CID 140591566

IUPACN-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C\C(=C)CC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18N2/c1-3-14(2)13-20-18(19)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-13,19H,2-3H2,1H3/b19-18-,20-13+
InChIKeyZUKVYBXESWSTON-QEOBVQOJSA-N
MW262.36 g/mol
LogP4.72
Rot. Bonds4

About N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide

N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide (PubChem CID 140591566) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
PubChem CID140591566
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N=C\C(=C)CC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H18N2/c1-3-14(2)13-20-18(19)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-13,19H,2-3H2,1H3/b19-18-,20-13+
InChIKeyZUKVYBXESWSTON-QEOBVQOJSA-N
XLogP4.72
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;N-(2-methylidenebutylidene)-3-phenylbenzene-6-ide-1-carboximidamide;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 140591565
1-[(3E)-hexa-1,3-dien-3-yl]-3-phenylbenzene
CID 143872310
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
ethanamine;(4Z,6E)-2-methyl-6-(3-phenylphenyl)octa-4,6-dien-3-imine
CID 145274981
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
CID 137285198
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
1-[(3R)-3-methylpent-1-en-2-yl]-3,5-diphenylbenzene
CID 153374332
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
methyl 3-(4-ethylphenyl)benzenecarboximidate
CID 82292494
9-[4-[3-(5,6-dimethylidenedeca-3,7,9-trien-3-yl)phenyl]phenyl]-10-phenylanthracene
CID 123877672

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide?
The IUPAC name of N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide (CID 140591566) is N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide?
The canonical SMILES for N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide is [H]/N=C(\N=C\C(=C)CC)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide?
The InChIKey is ZUKVYBXESWSTON-QEOBVQOJSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-14(2)13-20-18(19)17-11-7-10-16(12-17)15-8-5-4-6-9-15/h4-13,19H,2-3H2,1H3/b19-18-,20-13+.
What are the key properties of N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide?
N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 140591566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).