methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen

C15H20N2O — CID 143604612

IUPACmethane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen
SMILESC.C=C/N=C(/Nc1cccc2ccccc12)OC.[H][H]
InChIInChI=1S/C14H14N2O.CH4.H2/c1-3-15-14(17-2)16-13-10-6-8-11-7-4-5-9-12(11)13;;/h3-10H,1H2,2H3,(H,15,16);1H4;1H
InChIKeyTTZPDNBCYDLRTK-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.28
Rot. Bonds2

About methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen

methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen (PubChem CID 143604612) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen.

Molecular Properties

Compound Namemethane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen
PubChem CID143604612
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Namemethane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen
SMILESC.C=C/N=C(/Nc1cccc2ccccc12)OC.[H][H]
InChIInChI=1S/C14H14N2O.CH4.H2/c1-3-15-14(17-2)16-13-10-6-8-11-7-4-5-9-12(11)13;;/h3-10H,1H2,2H3,(H,15,16);1H4;1H
InChIKeyTTZPDNBCYDLRTK-UHFFFAOYSA-N
XLogP4.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[methoxy-(naphthalen-1-ylamino)methylidene]amino]pyrazine-2-carboxylate
CID 10711893
1-naphthalen-1-yl-3-prop-2-enoxyurea
CID 4604383
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
CID 108911459
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]naphthalen-1-amine
CID 137398702
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402
1-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylthiourea
CID 971903

Frequently Asked Questions

What is the IUPAC name of methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen?
The IUPAC name of methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen (CID 143604612) is methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen.
What is the SMILES notation for methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen?
The canonical SMILES for methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen is C.C=C/N=C(/Nc1cccc2ccccc12)OC.[H][H].
What is the InChIKey of methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen?
The InChIKey is TTZPDNBCYDLRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.CH4.H2/c1-3-15-14(17-2)16-13-10-6-8-11-7-4-5-9-12(11)13;;/h3-10H,1H2,2H3,(H,15,16);1H4;1H.
What are the key properties of methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen?
methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen has a molecular weight of 244.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl N'-ethenyl-N-naphthalen-1-ylcarbamimidate;molecular hydrogen is sourced from PubChem (CID 143604612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).