(E)-3-methyl-2-propylpent-2-en-1-imine

C9H17N — CID 177362543

IUPAC(E)-3-methyl-2-propylpent-2-en-1-imine
SMILES[H]/N=C/C(CCC)=C(\C)CC
InChIInChI=1S/C9H17N/c1-4-6-9(7-10)8(3)5-2/h7,10H,4-6H2,1-3H3/b9-8+,10-7+
InChIKeyCFDDHLRFNUPQAA-DGLUDJRXSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds4

About (E)-3-methyl-2-propylpent-2-en-1-imine

(E)-3-methyl-2-propylpent-2-en-1-imine (PubChem CID 177362543) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-3-methyl-2-propylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-methyl-2-propylpent-2-en-1-imine
PubChem CID177362543
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-3-methyl-2-propylpent-2-en-1-imine
SMILES[H]/N=C/C(CCC)=C(\C)CC
InChIInChI=1S/C9H17N/c1-4-6-9(7-10)8(3)5-2/h7,10H,4-6H2,1-3H3/b9-8+,10-7+
InChIKeyCFDDHLRFNUPQAA-DGLUDJRXSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methanimidoylpent-2-en-2-amine
CID 173477121
ethane;(2E)-3-N-ethyl-2-pentan-2-ylidenebutane-1,3-diimine
CID 153342660
4-methanimidoylhex-4-en-3-one
CID 155692065
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
(E)-2-(2,6-diazaspiro[3.3]heptan-2-yl)-3-methylhex-2-en-1-imine
CID 176921652
(E)-4,5-dimethyloct-4-ene
CID 12714364
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
hexan-3-imine
CID 44512023
(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine
CID 91071303
(Z)-2-ethylhept-2-en-1-imine
CID 146336575

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-propylpent-2-en-1-imine?
The IUPAC name of (E)-3-methyl-2-propylpent-2-en-1-imine (CID 177362543) is (E)-3-methyl-2-propylpent-2-en-1-imine.
What is the SMILES notation for (E)-3-methyl-2-propylpent-2-en-1-imine?
The canonical SMILES for (E)-3-methyl-2-propylpent-2-en-1-imine is [H]/N=C/C(CCC)=C(\C)CC.
What is the InChIKey of (E)-3-methyl-2-propylpent-2-en-1-imine?
The InChIKey is CFDDHLRFNUPQAA-DGLUDJRXSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(7-10)8(3)5-2/h7,10H,4-6H2,1-3H3/b9-8+,10-7+.
What are the key properties of (E)-3-methyl-2-propylpent-2-en-1-imine?
(E)-3-methyl-2-propylpent-2-en-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-propylpent-2-en-1-imine is sourced from PubChem (CID 177362543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).