N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine

C10H18N2 — CID 126590615

IUPACN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine
SMILESC=N/C(=C\N=C(C)C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12-7-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b9-7-
InChIKeyPWSOSSLTGQVCLO-CLFYSBASSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds2

About N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine

N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine (PubChem CID 126590615) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine
PubChem CID126590615
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine
SMILESC=N/C(=C\N=C(C)C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)12-7-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b9-7-
InChIKeyPWSOSSLTGQVCLO-CLFYSBASSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbut-1-en-2-yl)propan-1-imine
CID 90989766
N-[(1E)-3-methyl-2-(propan-2-ylideneamino)buta-1,3-dienyl]propan-2-imine
CID 123203094
N-[(3E)-4-(ethylideneamino)-3-methylbuta-1,3-dien-2-yl]propan-2-imine
CID 123400810
N-[(1E)-2-(ethylideneamino)-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123590724
(Z)-1-(ethylideneamino)-3,3-dimethylbut-1-en-2-amine
CID 124144422
2-Tert-butyl-1,4-diazacyclohepta-2,4,5,7-tetraene
CID 126684762
N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimine
CID 126724047
N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine
CID 129101834
3-methyl-N-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]butan-2-imine
CID 129168703
N-[(Z)-3,3-dimethyl-1-(methylideneamino)but-1-en-2-yl]ethanimidoyl cyanide
CID 130279485
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]ethanimine
CID 130346454
N-[(Z)-2-(ethylideneamino)-3,3-dimethylbut-1-enyl]ethanimine
CID 130378567

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine (CID 126590615) is N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The canonical SMILES for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine is C=N/C(=C\N=C(C)C)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
The InChIKey is PWSOSSLTGQVCLO-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-7-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b9-7-.
What are the key properties of N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine?
N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine has a molecular weight of 166.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-2-(methylideneamino)but-1-enyl]propan-2-imine is sourced from PubChem (CID 126590615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).