N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide

C9H16N2 — CID 155443629

IUPACN'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
SMILESCC/C=C/N=C(\C)N=C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-7-10-9(4)11-8(2)3/h6-7H,5H2,1-4H3/b7-6+,10-9+
InChIKeyCSQQJEJSHWLYIM-AVQMFFATSA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds2

About N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide

N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide (PubChem CID 155443629) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
PubChem CID155443629
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
SMILESCC/C=C/N=C(\C)N=C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-7-10-9(4)11-8(2)3/h6-7H,5H2,1-4H3/b7-6+,10-9+
InChIKeyCSQQJEJSHWLYIM-AVQMFFATSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.81
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
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
CID 145278225
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
N-[(Z)-but-1-enyl]but-3-ynimidoyl fluoride
CID 166838368
3-[(Z)-but-1-enyl]iminopent-4-enal
CID 126695355
N'-[(Z)-3-chloroprop-1-enyl]-N-methylideneethanimidamide
CID 143225748
(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 145143502
ethane;phenyl N-[(Z)-but-1-enyl]ethanimidate
CID 176696343
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide (CID 155443629) is N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide is CC/C=C/N=C(\C)N=C(C)C.
What is the InChIKey of N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide?
The InChIKey is CSQQJEJSHWLYIM-AVQMFFATSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-7-10-9(4)11-8(2)3/h6-7H,5H2,1-4H3/b7-6+,10-9+.
What are the key properties of N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide?
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 155443629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).