ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide

C12H22N2 — CID 143779686

IUPACethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide
SMILESC=C/C(=C\CC)CN(C#N)CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-7-10(5-2)8-12(6-3)9-11;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b10-7+;
InChIKeyCVFDLJMODPWULN-HCUGZAAXSA-N
MW194.32 g/mol
LogP3.34
Rot. Bonds5

About ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide

ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide (PubChem CID 143779686) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide.

Molecular Properties

Compound Nameethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide
PubChem CID143779686
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide
SMILESC=C/C(=C\CC)CN(C#N)CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-7-10(5-2)8-12(6-3)9-11;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b10-7+;
InChIKeyCVFDLJMODPWULN-HCUGZAAXSA-N
XLogP3.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Diethylaminomethylphenyllithium
CID 21399648
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
(3E,5Z)-N-butyl-3-fluoro-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 144347511
(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
CID 155197917
bromopalladium(1+);1-[3-[(dimethylamino)methyl]benzene-2-id-1-yl]-N,N-dimethylmethanamine
CID 11394798
Bis(diethylamino)fulvene
CID 129655938
N,N-diethyl-3,7-dimethylocta-3,5-dienylamine
CID 129777696
N,N-Diethyl-2-methyl-6-methyleneocta-2,7-diene-1-amine
CID 137331626
(2E,4Z)-2-[(E)-2-fluoroprop-1-enyl]-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 142082844

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide?
The IUPAC name of ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide (CID 143779686) is ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide.
What is the SMILES notation for ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide?
The canonical SMILES for ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide is C=C/C(=C\CC)CN(C#N)CC.CC.
What is the InChIKey of ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide?
The InChIKey is CVFDLJMODPWULN-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-7-10(5-2)8-12(6-3)9-11;1-2/h5,7H,2,4,6,8H2,1,3H3;1-2H3/b10-7+;.
What are the key properties of ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide?
ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide has a molecular weight of 194.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide is sourced from PubChem (CID 143779686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).