N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide

C13H15N3 — CID 61362667

IUPACN-amino-N'-methyl-2-naphthalen-2-ylethanimidamide
SMILESC/N=C(/Cc1ccc2ccccc2c1)NN
InChIInChI=1S/C13H15N3/c1-15-13(16-14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyCEHNYAFMUKKGCI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.87
Rot. Bonds2

About N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide

N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide (PubChem CID 61362667) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-2-naphthalen-2-ylethanimidamide
PubChem CID61362667
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-amino-N'-methyl-2-naphthalen-2-ylethanimidamide
SMILESC/N=C(/Cc1ccc2ccccc2c1)NN
InChIInChI=1S/C13H15N3/c1-15-13(16-14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyCEHNYAFMUKKGCI-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-cyclopentyl-2-naphthalen-2-ylethanimidamide
CID 61363497
N,N'-dimethyl-2-(7-methylnaphthalen-2-yl)ethanimidamide;hydrochloride
CID 158106364
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
CID 110952320
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110918471
N-methoxy-1-naphthalen-2-ylpropan-2-imine
CID 141312226
2-naphthalen-2-yl-N,N'-bis(prop-2-enyl)ethanimidamide
CID 70609598
sodium 2-naphthalen-2-ylacetate
CID 23688045
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide?
The IUPAC name of N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide (CID 61362667) is N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide.
What is the SMILES notation for N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide?
The canonical SMILES for N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide is C/N=C(/Cc1ccc2ccccc2c1)NN.
What is the InChIKey of N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide?
The InChIKey is CEHNYAFMUKKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-15-13(16-14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide?
N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide has a molecular weight of 213.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-2-naphthalen-2-ylethanimidamide is sourced from PubChem (CID 61362667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).