ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene

C10H22N2 — CID 143379740

IUPACethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene
SMILESC=C/N=C/N(C)C.C=CC.CC
InChIInChI=1S/C5H10N2.C3H6.C2H6/c1-4-6-5-7(2)3;1-3-2;1-2/h4-5H,1H2,2-3H3;3H,1H2,2H3;1-2H3/b6-5+;;
InChIKeyRYURNRMLIVVESA-TXOOBNKBSA-N
MW170.30 g/mol
LogP2.94
Rot. Bonds2

About ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene

ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene (PubChem CID 143379740) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene.

Molecular Properties

Compound Nameethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene
PubChem CID143379740
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene
SMILESC=C/N=C/N(C)C.C=CC.CC
InChIInChI=1S/C5H10N2.C3H6.C2H6/c1-4-6-5-7(2)3;1-3-2;1-2/h4-5H,1H2,2-3H3;3H,1H2,2H3;1-2H3/b6-5+;;
InChIKeyRYURNRMLIVVESA-TXOOBNKBSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene?
The IUPAC name of ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene (CID 143379740) is ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene.
What is the SMILES notation for ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene?
The canonical SMILES for ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene is C=C/N=C/N(C)C.C=CC.CC.
What is the InChIKey of ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene?
The InChIKey is RYURNRMLIVVESA-TXOOBNKBSA-N. The full InChI is InChI=1S/C5H10N2.C3H6.C2H6/c1-4-6-5-7(2)3;1-3-2;1-2/h4-5H,1H2,2-3H3;3H,1H2,2H3;1-2H3/b6-5+;;.
What are the key properties of ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene?
ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene has a molecular weight of 170.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N,N-dimethylmethanimidamide;prop-1-ene is sourced from PubChem (CID 143379740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).