N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine

C8H21N3 — CID 144517772

IUPACN,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine
SMILESC/C=C/N.C/N=C/NC.CC
InChIInChI=1S/C3H8N2.C3H7N.C2H6/c1-4-3-5-2;1-2-3-4;1-2/h3H,1-2H3,(H,4,5);2-3H,4H2,1H3;1-2H3/b;3-2+;
InChIKeyLJBULWAPMFMRMY-VQSZBRBVSA-N
MW159.28 g/mol
LogP1.37
Rot. Bonds1

About N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine

N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine (PubChem CID 144517772) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine.

Molecular Properties

Compound NameN,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine
PubChem CID144517772
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine
SMILESC/C=C/N.C/N=C/NC.CC
InChIInChI=1S/C3H8N2.C3H7N.C2H6/c1-4-3-5-2;1-2-3-4;1-2/h3H,1-2H3,(H,4,5);2-3H,4H2,1H3;1-2H3/b;3-2+;
InChIKeyLJBULWAPMFMRMY-VQSZBRBVSA-N
XLogP1.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.37
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

potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
azane;prop-1-en-1-amine
CID 174584190
N-[(1E,3E)-2-aminopenta-1,3-dienyl]-N'-methylmethanimidamide
CID 130341577
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
1,1-dimethylhydrazine;prop-1-en-1-amine
CID 173114138
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
ethane;N-ethylpropan-1-amine;(Z)-prop-1-en-1-amine
CID 144711980
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
CID 163978449
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
1,3-difluorobenzene;N,N'-dimethylmethanimidamide;[(3Z)-penta-1,3-dien-2-yl]sulfinylbenzene
CID 142186632

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine?
The IUPAC name of N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine (CID 144517772) is N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine.
What is the SMILES notation for N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine?
The canonical SMILES for N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine is C/C=C/N.C/N=C/NC.CC.
What is the InChIKey of N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine?
The InChIKey is LJBULWAPMFMRMY-VQSZBRBVSA-N. The full InChI is InChI=1S/C3H8N2.C3H7N.C2H6/c1-4-3-5-2;1-2-3-4;1-2/h3H,1-2H3,(H,4,5);2-3H,4H2,1H3;1-2H3/b;3-2+;.
What are the key properties of N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine?
N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine has a molecular weight of 159.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine is sourced from PubChem (CID 144517772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).