[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine

C10H15N3 — CID 163257031

IUPAC[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
SMILESCN/N=C(\C)c1ccccc1CN
InChIInChI=1S/C10H15N3/c1-8(13-12-2)10-6-4-3-5-9(10)7-11/h3-6,12H,7,11H2,1-2H3/b13-8+
InChIKeySPTXTFLYUACICT-MDWZMJQESA-N
MW177.25 g/mol
LogP1.09
Rot. Bonds3

About [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine

[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine (PubChem CID 163257031) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
PubChem CID163257031
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine
SMILESCN/N=C(\C)c1ccccc1CN
InChIInChI=1S/C10H15N3/c1-8(13-12-2)10-6-4-3-5-9(10)7-11/h3-6,12H,7,11H2,1-2H3/b13-8+
InChIKeySPTXTFLYUACICT-MDWZMJQESA-N
XLogP1.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(aminomethyl)phenyl]methanethione
CID 87478627
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
[2-[(Z)-3-methyl-4-phenylbut-2-en-2-yl]phenyl]methanamine;hydrochloride
CID 173049535
2-(aminomethyl)benzoyl chloride
CID 82503183
[2-(1-chloroethenyl)phenyl]methanamine
CID 172698526
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
1-[2-(aminomethyl)phenyl]-2-hydroxyethanone
CID 163539721
N-(4-acetylphenyl)-2-(aminomethyl)benzamide
CID 82546626
1-[2-(aminomethyl)phenyl]-2-bromoethanone
CID 150045580
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647
CID 142383163
CID 142383163

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?
The IUPAC name of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine (CID 163257031) is [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine.
What is the SMILES notation for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?
The canonical SMILES for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine is CN/N=C(\C)c1ccccc1CN.
What is the InChIKey of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?
The InChIKey is SPTXTFLYUACICT-MDWZMJQESA-N. The full InChI is InChI=1S/C10H15N3/c1-8(13-12-2)10-6-4-3-5-9(10)7-11/h3-6,12H,7,11H2,1-2H3/b13-8+.
What are the key properties of [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine?
[2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]methanamine is sourced from PubChem (CID 163257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).