N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide

C9H16N2 — CID 147678646

IUPACN-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C(\C)CC
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h2,6H2,1,3-5H3/b10-9+,11-8+
InChIKeyGOQWRXOMXNLNQJ-RUFFMTGISA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds2

About N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide

N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 147678646) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID147678646
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(C)/N=C(\C)CC
InChIInChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h2,6H2,1,3-5H3/b10-9+,11-8+
InChIKeyGOQWRXOMXNLNQJ-RUFFMTGISA-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

2-fluoro-2-methyl-N-propan-2-ylidene-N'-prop-1-en-2-ylpropanimidamide
CID 144949692
N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 89034885
hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
CID 91026832
N'-[(E)-2-(butan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 123348821
N-(3,3-dimethylbutan-2-ylidene)-N'-prop-1-en-2-ylethanimidamide
CID 134595250
N'-but-1-en-2-yl-N-propan-2-ylideneethanimidamide
CID 139307664
N-butan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 141766893
ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 143043535
ethane;N-prop-1-en-2-ylbutan-2-imine
CID 143476277
propane;N-propan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 143703560
ethane;N-methylidene-N'-prop-1-en-2-ylethanimidamide
CID 144079421
ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 144595825

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide (CID 147678646) is N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(C)/N=C(\C)CC.
What is the InChIKey of N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is GOQWRXOMXNLNQJ-RUFFMTGISA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(4)11-9(5)10-7(2)3/h2,6H2,1,3-5H3/b10-9+,11-8+.
What are the key properties of N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide?
N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide 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-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 147678646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).