N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane

C14H30N2 — CID 143929695

IUPACN'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
SMILESCC.CC/C=C\N=C(/C)N(CCC)CCC
InChIInChI=1S/C12H24N2.C2H6/c1-5-8-9-13-12(4)14(10-6-2)11-7-3;1-2/h8-9H,5-7,10-11H2,1-4H3;1-2H3/b9-8-,13-12+;
InChIKeyJTBXYFPILHMWQY-BZYURBCNSA-N
MW226.41 g/mol
LogP4.48
Rot. Bonds6

About N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane

N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane (PubChem CID 143929695) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
PubChem CID143929695
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
SMILESCC.CC/C=C\N=C(/C)N(CCC)CCC
InChIInChI=1S/C12H24N2.C2H6/c1-5-8-9-13-12(4)14(10-6-2)11-7-3;1-2/h8-9H,5-7,10-11H2,1-4H3;1-2H3/b9-8-,13-12+;
InChIKeyJTBXYFPILHMWQY-BZYURBCNSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.48
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

N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
N,N-dipropylethanethioamide
CID 19819320
3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
ethane;phenyl N-[(Z)-but-1-enyl]ethanimidate
CID 176696343
(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 145143502
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane?
The IUPAC name of N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane (CID 143929695) is N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane?
The canonical SMILES for N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane is CC.CC/C=C\N=C(/C)N(CCC)CCC.
What is the InChIKey of N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane?
The InChIKey is JTBXYFPILHMWQY-BZYURBCNSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-5-8-9-13-12(4)14(10-6-2)11-7-3;1-2/h8-9H,5-7,10-11H2,1-4H3;1-2H3/b9-8-,13-12+;.
What are the key properties of N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane?
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane has a molecular weight of 226.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane is sourced from PubChem (CID 143929695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).