ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen

C10H22N2 — CID 144647200

IUPACethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen
SMILESC=CC(C)/C(N)=N/C=C\C.CC.[H][H]
InChIInChI=1S/C8H14N2.C2H6.H2/c1-4-6-10-8(9)7(3)5-2;1-2;/h4-7H,2H2,1,3H3,(H2,9,10);1-2H3;1H/b6-4-;;
InChIKeyVHQLAYQYPXQRFP-XFUGJFOESA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds3

About ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen

ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen (PubChem CID 144647200) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen
PubChem CID144647200
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen
SMILESC=CC(C)/C(N)=N/C=C\C.CC.[H][H]
InChIInChI=1S/C8H14N2.C2H6.H2/c1-4-6-10-8(9)7(3)5-2;1-2;/h4-7H,2H2,1,3H3,(H2,9,10);1-2H3;1H/b6-4-;;
InChIKeyVHQLAYQYPXQRFP-XFUGJFOESA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
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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Related Compounds

N'-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]ethanimidamide
CID 162561600
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
N'-[(1Z)-3-methylbuta-1,3-dienyl]propanimidamide
CID 89008269
N'-[(1Z)-buta-1,3-dienyl]-2-methylpropanimidamide
CID 89140157
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
N'-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidamide
CID 89989589
N'-ethenyl-2-methyl-3-prop-2-enyliminobutanimidamide
CID 90755784
ethane;3H-pyrrol-2-amine
CID 91616708
4-Methyl-3,4-dihydropyridin-2-amine
CID 118033665
N'-but-1-enyl-2,3-dimethylbutanimidamide
CID 123270725
2-methyl-N'-[(1Z)-2-methylbuta-1,3-dienyl]butanimidamide
CID 123779823
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen?
The IUPAC name of ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen (CID 144647200) is ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen is C=CC(C)/C(N)=N/C=C\C.CC.[H][H].
What is the InChIKey of ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen?
The InChIKey is VHQLAYQYPXQRFP-XFUGJFOESA-N. The full InChI is InChI=1S/C8H14N2.C2H6.H2/c1-4-6-10-8(9)7(3)5-2;1-2;/h4-7H,2H2,1,3H3,(H2,9,10);1-2H3;1H/b6-4-;;.
What are the key properties of ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen?
ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen has a molecular weight of 170.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen is sourced from PubChem (CID 144647200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).