N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine

C9H17N — CID 143444586

IUPACN-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
SMILESCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C9H17N/c1-6-8(4)9(5)10-7(2)3/h6H2,1-5H3/b9-8+
InChIKeyMNSMVAYOUHMWDI-CMDGGOBGSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds2

About N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine

N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine (PubChem CID 143444586) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
PubChem CID143444586
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
SMILESCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C9H17N/c1-6-8(4)9(5)10-7(2)3/h6H2,1-5H3/b9-8+
InChIKeyMNSMVAYOUHMWDI-CMDGGOBGSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

N-(2,2,5,5-tetramethylhex-3-en-3-yl)ethanimine;vanadium(2+)
CID 18719741
N-[(Z)-3,4-dimethylpent-2-en-2-yl]-3-methylbutan-2-imine
CID 59879256
3-methyl-N-(2-methylpent-2-en-3-yl)but-3-en-2-imine
CID 88274729
(E)-N,3,4-trimethylhex-3-en-2-imine
CID 117753959
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
N-(1-cyclopropylideneethyl)butan-2-imine
CID 123591135
N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 123767604
3-methyl-N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 124000497
N-(2,4-dimethylpent-2-en-3-yl)propan-2-imine
CID 126603650
3,3-dimethyl-N-(2,4,4-trimethylpent-2-en-3-yl)butan-2-imine
CID 130187403
N-[(2Z)-3,4-dimethylpenta-2,4-dien-2-yl]propan-2-imine
CID 130224675
N-(2,4-dimethylpent-2-en-3-yl)-3-methylbut-3-en-2-imine
CID 130279098

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine?
The IUPAC name of N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine (CID 143444586) is N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine is CC/C(C)=C(\C)N=C(C)C.
What is the InChIKey of N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine?
The InChIKey is MNSMVAYOUHMWDI-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8(4)9(5)10-7(2)3/h6H2,1-5H3/b9-8+.
What are the key properties of N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine?
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 143444586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).