N-[(Z)-but-1-enyl]propan-2-imine;ethane

C11H25N — CID 145419661

IUPACN-[(Z)-but-1-enyl]propan-2-imine;ethane
SMILESCC.CC.CC/C=C\N=C(C)C
InChIInChI=1S/C7H13N.2C2H6/c1-4-5-6-8-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b6-5-;;
InChIKeyQDOBMQBZTMMNPY-XNOMRPDFSA-N
MW171.33 g/mol
LogP4.44
Rot. Bonds2

About N-[(Z)-but-1-enyl]propan-2-imine;ethane

N-[(Z)-but-1-enyl]propan-2-imine;ethane (PubChem CID 145419661) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]propan-2-imine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]propan-2-imine;ethane
PubChem CID145419661
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-[(Z)-but-1-enyl]propan-2-imine;ethane
SMILESCC.CC.CC/C=C\N=C(C)C
InChIInChI=1S/C7H13N.2C2H6/c1-4-5-6-8-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b6-5-;;
InChIKeyQDOBMQBZTMMNPY-XNOMRPDFSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-but-1-enyl]propan-2-imine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780
ethane;phenyl N-[(Z)-but-1-enyl]ethanimidate
CID 176696343
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
(Z)-2-(propan-2-ylideneamino)ethenol
CID 144930691
N-[(Z)-but-1-enyl]but-3-ynimidoyl fluoride
CID 166838368
3-[(Z)-but-1-enyl]iminopent-4-enal
CID 126695355
(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 145143502

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]propan-2-imine;ethane?
The IUPAC name of N-[(Z)-but-1-enyl]propan-2-imine;ethane (CID 145419661) is N-[(Z)-but-1-enyl]propan-2-imine;ethane.
What is the SMILES notation for N-[(Z)-but-1-enyl]propan-2-imine;ethane?
The canonical SMILES for N-[(Z)-but-1-enyl]propan-2-imine;ethane is CC.CC.CC/C=C\N=C(C)C.
What is the InChIKey of N-[(Z)-but-1-enyl]propan-2-imine;ethane?
The InChIKey is QDOBMQBZTMMNPY-XNOMRPDFSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-4-5-6-8-7(2)3;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b6-5-;;.
What are the key properties of N-[(Z)-but-1-enyl]propan-2-imine;ethane?
N-[(Z)-but-1-enyl]propan-2-imine;ethane has a molecular weight of 171.33 g/mol, XLogP of 4.44, 2 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]propan-2-imine;ethane is sourced from PubChem (CID 145419661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).