N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine

C9H15N — CID 90686392

IUPACN-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C)C(C)C
InChIInChI=1S/C9H15N/c1-5-6-10-7-9(4)8(2)3/h5-8H,1H2,2-4H3/b9-7?,10-6+
InChIKeyNKFQSMGVLNCCEC-CWIDIXFLSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds3

About N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine

N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine (PubChem CID 90686392) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine
PubChem CID90686392
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine
SMILESC=C/C=N/C=C(C)C(C)C
InChIInChI=1S/C9H15N/c1-5-6-10-7-9(4)8(2)3/h5-8H,1H2,2-4H3/b9-7?,10-6+
InChIKeyNKFQSMGVLNCCEC-CWIDIXFLSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 15632335
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
(Z)-N-propa-1,2-dienyl-2-propan-2-ylbut-2-en-1-imine
CID 89095895
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(1Z)-3-methylpenta-1,4-dienyl]prop-2-en-1-imine
CID 89138641
N-[(Z)-3-methylbut-1-enyl]ethanimine
CID 89175542
N-[(Z)-3-methylpent-1-enyl]ethanimine
CID 89195550
(2Z)-3-methyl-1-azacycloocta-2,5,6,8-tetraene
CID 89331089

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine?
The IUPAC name of N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine (CID 90686392) is N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine?
The canonical SMILES for N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine is C=C/C=N/C=C(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine?
The InChIKey is NKFQSMGVLNCCEC-CWIDIXFLSA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-10-7-9(4)8(2)3/h5-8H,1H2,2-4H3/b9-7?,10-6+.
What are the key properties of N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine?
N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbut-1-enyl)prop-2-en-1-imine is sourced from PubChem (CID 90686392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).