(E)-N-tert-butylpent-3-en-2-imine

C9H17N — CID 101023257

IUPAC(E)-N-tert-butylpent-3-en-2-imine
SMILESC/C=C/C(C)=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(2)10-9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+
InChIKeyWJRXBXAXCVGAMO-LQPGMRSMSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds1

About (E)-N-tert-butylpent-3-en-2-imine

(E)-N-tert-butylpent-3-en-2-imine (PubChem CID 101023257) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N-tert-butylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-tert-butylpent-3-en-2-imine
PubChem CID101023257
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N-tert-butylpent-3-en-2-imine
SMILESC/C=C/C(C)=N/C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(2)10-9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+
InChIKeyWJRXBXAXCVGAMO-LQPGMRSMSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
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

t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
CID 134890969
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
N-tert-butylcyclohexa-2,4-dien-1-imine
CID 14398597
N-methylpent-3-en-2-imine
CID 15325554
(Z)-4-tert-butyliminopent-2-en-2-olate
CID 58104810
(Z)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 58765980
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
CID 59049750
(Z)-N-tert-butyl-3,5,5-trimethylhex-3-en-2-imine
CID 59179882
(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine
CID 59179883
(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
CID 59179929
(Z)-N-methylpent-3-en-2-imine
CID 59451924

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butylpent-3-en-2-imine?
The IUPAC name of (E)-N-tert-butylpent-3-en-2-imine (CID 101023257) is (E)-N-tert-butylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-tert-butylpent-3-en-2-imine?
The canonical SMILES for (E)-N-tert-butylpent-3-en-2-imine is C/C=C/C(C)=N/C(C)(C)C.
What is the InChIKey of (E)-N-tert-butylpent-3-en-2-imine?
The InChIKey is WJRXBXAXCVGAMO-LQPGMRSMSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-8(2)10-9(3,4)5/h6-7H,1-5H3/b7-6+,10-8+.
What are the key properties of (E)-N-tert-butylpent-3-en-2-imine?
(E)-N-tert-butylpent-3-en-2-imine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butylpent-3-en-2-imine is sourced from PubChem (CID 101023257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).