N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide

C10H15N3 — CID 130279485

IUPACN-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide
SMILESC=N/C=C(\N=C(/C)C#N)C(C)(C)C
InChIInChI=1S/C10H15N3/c1-8(6-11)13-9(7-12-5)10(2,3)4/h7H,5H2,1-4H3/b9-7-,13-8+
InChIKeyYCYXBFKAMWRTHM-OKFFXAGVSA-N
MW177.25 g/mol
LogP2.56
Rot. Bonds2

About N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide

N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide (PubChem CID 130279485) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide
PubChem CID130279485
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide
SMILESC=N/C=C(\N=C(/C)C#N)C(C)(C)C
InChIInChI=1S/C10H15N3/c1-8(6-11)13-9(7-12-5)10(2,3)4/h7H,5H2,1-4H3/b9-7-,13-8+
InChIKeyYCYXBFKAMWRTHM-OKFFXAGVSA-N
XLogP2.56
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide?
The IUPAC name of N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide (CID 130279485) is N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide?
The canonical SMILES for N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide is C=N/C=C(\N=C(/C)C#N)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide?
The InChIKey is YCYXBFKAMWRTHM-OKFFXAGVSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(6-11)13-9(7-12-5)10(2,3)4/h7H,5H2,1-4H3/b9-7-,13-8+.
What are the key properties of N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide?
N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide has a molecular weight of 177.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide is sourced from PubChem (CID 130279485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).