N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine

C11H20N2 — CID 134172389

IUPACN-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine
SMILESC/C=N/C(C)(C)/C=C\N=C\CCC
InChIInChI=1S/C11H20N2/c1-5-7-9-12-10-8-11(3,4)13-6-2/h6,8-10H,5,7H2,1-4H3/b10-8-,12-9+,13-6+
InChIKeyLAQWOTJGFHRDFM-XZKAYTCVSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds5

About N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine

N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine (PubChem CID 134172389) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine
PubChem CID134172389
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine
SMILESC/C=N/C(C)(C)/C=C\N=C\CCC
InChIInChI=1S/C11H20N2/c1-5-7-9-12-10-8-11(3,4)13-6-2/h6,8-10H,5,7H2,1-4H3/b10-8-,12-9+,13-6+
InChIKeyLAQWOTJGFHRDFM-XZKAYTCVSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
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

2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-3,3-dimethyl-1,2-ditritiobut-1-enyl]-2,2-dimethyl-1-tritiopropan-1-imine
CID 118606013
2,2,7,7-Tetramethyl-1,5-diazocine
CID 123428503
2,2-Dimethyl-7,8-dihydro-1,5-diazonine
CID 123571290
5,5-Dimethyl-1,4-diazepine
CID 123685984
5-Ethyl-5-methyl-1,4-diazepine
CID 123711485
N-[2-methyl-4-(methylideneamino)but-3-en-2-yl]propan-1-imine
CID 124003356
1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
CID 126593497
2,2,7-Trimethyl-1,4-diazepine
CID 129075640

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine?
The IUPAC name of N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine (CID 134172389) is N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine.
What is the SMILES notation for N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine?
The canonical SMILES for N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine is C/C=N/C(C)(C)/C=C\N=C\CCC.
What is the InChIKey of N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine?
The InChIKey is LAQWOTJGFHRDFM-XZKAYTCVSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-9-12-10-8-11(3,4)13-6-2/h6,8-10H,5,7H2,1-4H3/b10-8-,12-9+,13-6+.
What are the key properties of N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine?
N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine has a molecular weight of 180.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(ethylideneamino)-3-methylbut-1-enyl]butan-1-imine is sourced from PubChem (CID 134172389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).