4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane

C12H21N3 — CID 91450570

IUPAC4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
SMILESC/N=C(\NC)c1ccc(CN)cc1.CC
InChIInChI=1S/C10H15N3.C2H6/c1-12-10(13-2)9-5-3-8(7-11)4-6-9;1-2/h3-6H,7,11H2,1-2H3,(H,12,13);1-2H3
InChIKeyQHMMQHXVSIFUBS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.77
Rot. Bonds2

About 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane

4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane (PubChem CID 91450570) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane.

Molecular Properties

Compound Name4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
PubChem CID91450570
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
SMILESC/N=C(\NC)c1ccc(CN)cc1.CC
InChIInChI=1S/C10H15N3.C2H6/c1-12-10(13-2)9-5-3-8(7-11)4-6-9;1-2/h3-6H,7,11H2,1-2H3,(H,12,13);1-2H3
InChIKeyQHMMQHXVSIFUBS-UHFFFAOYSA-N
XLogP1.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
CID 23315182
4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide
CID 23314675
2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
CID 174660188
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane?
The IUPAC name of 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane (CID 91450570) is 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane.
What is the SMILES notation for 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane?
The canonical SMILES for 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane is C/N=C(\NC)c1ccc(CN)cc1.CC.
What is the InChIKey of 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane?
The InChIKey is QHMMQHXVSIFUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-12-10(13-2)9-5-3-8(7-11)4-6-9;1-2/h3-6H,7,11H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane?
4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane has a molecular weight of 207.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane is sourced from PubChem (CID 91450570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).