N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide

C29H31N3 — CID 145291848

IUPACN-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
SMILESC=N/C(=N\Cc1cccc2ccccc12)c1ccccc1.C=NCc1ccccc1.CC
InChIInChI=1S/C19H16N2.C8H9N.C2H6/c1-20-19(16-9-3-2-4-10-16)21-14-17-12-7-11-15-8-5-6-13-18(15)17;1-9-7-8-5-3-2-4-6-8;1-2/h2-13H,1,14H2;2-6H,1,7H2;1-2H3/b21-19-;;
InChIKeyFZHWKAFEMRPJII-KSTMOPHVSA-N
MW421.59 g/mol
LogP7.40
Rot. Bonds5

About N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide

N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide (PubChem CID 145291848) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
PubChem CID145291848
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC NameN-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
SMILESC=N/C(=N\Cc1cccc2ccccc12)c1ccccc1.C=NCc1ccccc1.CC
InChIInChI=1S/C19H16N2.C8H9N.C2H6/c1-20-19(16-9-3-2-4-10-16)21-14-17-12-7-11-15-8-5-6-13-18(15)17;1-9-7-8-5-3-2-4-6-8;1-2/h2-13H,1,14H2;2-6H,1,7H2;1-2H3/b21-19-;;
InChIKeyFZHWKAFEMRPJII-KSTMOPHVSA-N
XLogP7.40
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
CID 145442525
N-benzylmethanimine;5-methyl-N-methylidene-N'-[N-[[4-[1-[4-[N-methylidene-N'-(naphthalen-1-ylmethyl)carbamimidoyl]phenyl]cyclohexyl]phenyl]methyl]-C-phenylcarbonimidoyl]cyclodeca-1,3,5,7,9-pentaene-1-carboximidamide
CID 145073500
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N-benzylmethanimine;N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 142425047
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
CID 145105527
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)naphthalene-2-carboximidamide
CID 145404031
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-benzyl-3-[3,4-bis(ethenyl)naphthalen-1-yl]-N-methylidene-5-quinolin-5-ylbenzenecarboximidamide;N-benzylmethanimine
CID 144775602
N-benzylmethanimine;N'-[3-[2-(methylamino)phenyl]-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-N-methylidenebenzenecarboximidamide
CID 145442476
N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 142425048
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-8-phenanthren-2-yldibenzofuran-1-carboximidamide
CID 170423152

Frequently Asked Questions

What is the IUPAC name of N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide (CID 145291848) is N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide is C=N/C(=N\Cc1cccc2ccccc12)c1ccccc1.C=NCc1ccccc1.CC.
What is the InChIKey of N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide?
The InChIKey is FZHWKAFEMRPJII-KSTMOPHVSA-N. The full InChI is InChI=1S/C19H16N2.C8H9N.C2H6/c1-20-19(16-9-3-2-4-10-16)21-14-17-12-7-11-15-8-5-6-13-18(15)17;1-9-7-8-5-3-2-4-6-8;1-2/h2-13H,1,14H2;2-6H,1,7H2;1-2H3/b21-19-;;.
What are the key properties of N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide?
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide has a molecular weight of 421.59 g/mol, XLogP of 7.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 145291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).