N-pent-2-en-2-ylbutan-2-imine

C9H17N — CID 123964989

IUPACN-pent-2-en-2-ylbutan-2-imine
SMILESCCC=C(C)/N=C(\C)CC
InChIInChI=1S/C9H17N/c1-5-7-9(4)10-8(3)6-2/h7H,5-6H2,1-4H3/b9-7?,10-8+
InChIKeyKRLQVTNJDSQNEB-LSVQJBSPSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds3

About N-pent-2-en-2-ylbutan-2-imine

N-pent-2-en-2-ylbutan-2-imine (PubChem CID 123964989) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-pent-2-en-2-ylbutan-2-imine.

Molecular Properties

Compound NameN-pent-2-en-2-ylbutan-2-imine
PubChem CID123964989
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-pent-2-en-2-ylbutan-2-imine
SMILESCCC=C(C)/N=C(\C)CC
InChIInChI=1S/C9H17N/c1-5-7-9(4)10-8(3)6-2/h7H,5-6H2,1-4H3/b9-7?,10-8+
InChIKeyKRLQVTNJDSQNEB-LSVQJBSPSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
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

2,7-dimethyl-3H-azepine
CID 21672375
5Hlutidine
CID 53805573
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
N-[(E)-hept-3-en-4-yl]heptan-4-imine
CID 135049490
1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
CID 168972393
3-fluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 168972427
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
CID 168972551
N-[(E)-but-2-en-2-yl]butan-2-imine
CID 12603156
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
2,5-dimethyl-3H-pyrrole
CID 20592628
N-but-2-en-2-ylbutan-2-imine
CID 53948891
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147

Frequently Asked Questions

What is the IUPAC name of N-pent-2-en-2-ylbutan-2-imine?
The IUPAC name of N-pent-2-en-2-ylbutan-2-imine (CID 123964989) is N-pent-2-en-2-ylbutan-2-imine.
What is the SMILES notation for N-pent-2-en-2-ylbutan-2-imine?
The canonical SMILES for N-pent-2-en-2-ylbutan-2-imine is CCC=C(C)/N=C(\C)CC.
What is the InChIKey of N-pent-2-en-2-ylbutan-2-imine?
The InChIKey is KRLQVTNJDSQNEB-LSVQJBSPSA-N. The full InChI is InChI=1S/C9H17N/c1-5-7-9(4)10-8(3)6-2/h7H,5-6H2,1-4H3/b9-7?,10-8+.
What are the key properties of N-pent-2-en-2-ylbutan-2-imine?
N-pent-2-en-2-ylbutan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-2-en-2-ylbutan-2-imine is sourced from PubChem (CID 123964989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).