ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide

C14H28N2 — CID 142369069

IUPACethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/C(C)C)N(/C=C\C)CC.CC
InChIInChI=1S/C12H22N2.C2H6/c1-6-9-13-12(11(4)5)14(8-3)10-7-2;1-2/h6-7,9-11H,8H2,1-5H3;1-2H3/b9-6-,10-7-,13-12+;
InChIKeyBLKSWIJPORJXGK-DQMCSPIBSA-N
MW224.39 g/mol
LogP4.46
Rot. Bonds4

About ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide

ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide (PubChem CID 142369069) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide
PubChem CID142369069
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide
SMILESC/C=C\N=C(/C(C)C)N(/C=C\C)CC.CC
InChIInChI=1S/C12H22N2.C2H6/c1-6-9-13-12(11(4)5)14(8-3)10-7-2;1-2/h6-7,9-11H,8H2,1-5H3;1-2H3/b9-6-,10-7-,13-12+;
InChIKeyBLKSWIJPORJXGK-DQMCSPIBSA-N
XLogP4.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.46
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'}

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Related Compounds

1-Ethenyl-2-propan-2-yl-4,5-dihydroimidazole
CID 21666570
2,3-ditert-butyl-4H-pyrimidine
CID 58299778
1,2-ditert-butyl-4H-pyrimidine
CID 58300138
2,3-Di(propan-2-yl)-1,3,5-triazepine
CID 58762912
(5Z,7Z)-1,2-di(propan-2-yl)-4H-1,3-diazocine
CID 58763032
(7Z)-3,4-di(propan-2-yl)-6H-1,3,5-triazocine
CID 58763159
1,1,2-Tris(prop-2-enyl)imidazol-1-ium
CID 66670074
2-methyl-3-propyl-4H-pyrimidine
CID 68059140
3,3-dimethyl-2-propyl-4H-pyrimidin-3-ium
CID 70223891
N,N,2-trimethyl-N'-prop-2-enylpropanimidamide
CID 85541386
N-ethenyl-N'-methyl-N-propylpropanimidamide
CID 90299348
1,2-diethyl-4H-pyrimidine
CID 90757009

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide (CID 142369069) is ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide is C/C=C\N=C(/C(C)C)N(/C=C\C)CC.CC.
What is the InChIKey of ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is BLKSWIJPORJXGK-DQMCSPIBSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-6-9-13-12(11(4)5)14(8-3)10-7-2;1-2/h6-7,9-11H,8H2,1-5H3;1-2H3/b9-6-,10-7-,13-12+;.
What are the key properties of ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide?
ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 224.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methyl-N,N'-bis[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 142369069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).