N-ethyl-3-methylpent-3-en-2-imine

C8H15N — CID 123466297

IUPACN-ethyl-3-methylpent-3-en-2-imine
SMILESCC=C(C)/C(C)=N/CC
InChIInChI=1S/C8H15N/c1-5-7(3)8(4)9-6-2/h5H,6H2,1-4H3/b7-5?,9-8+
InChIKeySIIBNSHQVJFQEK-KQEMPYGNSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds2

About N-ethyl-3-methylpent-3-en-2-imine

N-ethyl-3-methylpent-3-en-2-imine (PubChem CID 123466297) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-ethyl-3-methylpent-3-en-2-imine.

Molecular Properties

Compound NameN-ethyl-3-methylpent-3-en-2-imine
PubChem CID123466297
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-ethyl-3-methylpent-3-en-2-imine
SMILESCC=C(C)/C(C)=N/CC
InChIInChI=1S/C8H15N/c1-5-7(3)8(4)9-6-2/h5H,6H2,1-4H3/b7-5?,9-8+
InChIKeySIIBNSHQVJFQEK-KQEMPYGNSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
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

1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 147963737
N-buta-1,2-dienyl-3-fluoro-4-methylpent-3-en-2-imine
CID 166976443
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylpent-3-en-2-imine?
The IUPAC name of N-ethyl-3-methylpent-3-en-2-imine (CID 123466297) is N-ethyl-3-methylpent-3-en-2-imine.
What is the SMILES notation for N-ethyl-3-methylpent-3-en-2-imine?
The canonical SMILES for N-ethyl-3-methylpent-3-en-2-imine is CC=C(C)/C(C)=N/CC.
What is the InChIKey of N-ethyl-3-methylpent-3-en-2-imine?
The InChIKey is SIIBNSHQVJFQEK-KQEMPYGNSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(3)8(4)9-6-2/h5H,6H2,1-4H3/b7-5?,9-8+.
What are the key properties of N-ethyl-3-methylpent-3-en-2-imine?
N-ethyl-3-methylpent-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylpent-3-en-2-imine is sourced from PubChem (CID 123466297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).