N-but-3-en-2-ylideneethanimidamide

C6H10N2 — CID 143838508

IUPACN-but-3-en-2-ylideneethanimidamide
SMILES[H]/N=C(C)/N=C(\C)C=C
InChIInChI=1S/C6H10N2/c1-4-5(2)8-6(3)7/h4,7H,1H2,2-3H3/b7-6+,8-5+
InChIKeyNMTAPXRHSFLYAR-ZCOYIIAOSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds1

About N-but-3-en-2-ylideneethanimidamide

N-but-3-en-2-ylideneethanimidamide (PubChem CID 143838508) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-but-3-en-2-ylideneethanimidamide.

Molecular Properties

Compound NameN-but-3-en-2-ylideneethanimidamide
PubChem CID143838508
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-but-3-en-2-ylideneethanimidamide
SMILES[H]/N=C(C)/N=C(\C)C=C
InChIInChI=1S/C6H10N2/c1-4-5(2)8-6(3)7/h4,7H,1H2,2-3H3/b7-6+,8-5+
InChIKeyNMTAPXRHSFLYAR-ZCOYIIAOSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
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)-4-iodobut-3-en-2-ylidene]ethanimidamide
CID 89164802
2-Methyliminobut-3-enimidamide
CID 89684219
N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
methyl N-but-3-en-2-ylidenecarbamimidate
CID 123463086
N'-methyl-2-methyliminobut-3-enimidamide
CID 123747287
1-But-3-en-2-ylideneguanidine
CID 123765646
2-(But-3-en-2-ylideneamino)prop-2-enimidamide
CID 123864974
(1Z)-1-but-3-en-2-ylidene-2-methylguanidine
CID 141871147
1-[(Z)-but-3-en-2-ylideneamino]ethenamine
CID 142524946
N-but-3-en-2-ylidenemethanimidamide
CID 143403077
N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 143830339
N-but-3-en-2-ylidenemethanimidamide;ethane
CID 144132242

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylideneethanimidamide?
The IUPAC name of N-but-3-en-2-ylideneethanimidamide (CID 143838508) is N-but-3-en-2-ylideneethanimidamide.
What is the SMILES notation for N-but-3-en-2-ylideneethanimidamide?
The canonical SMILES for N-but-3-en-2-ylideneethanimidamide is [H]/N=C(C)/N=C(\C)C=C.
What is the InChIKey of N-but-3-en-2-ylideneethanimidamide?
The InChIKey is NMTAPXRHSFLYAR-ZCOYIIAOSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-5(2)8-6(3)7/h4,7H,1H2,2-3H3/b7-6+,8-5+.
What are the key properties of N-but-3-en-2-ylideneethanimidamide?
N-but-3-en-2-ylideneethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylideneethanimidamide is sourced from PubChem (CID 143838508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).