N-[(E)-2-methylpent-1-enyl]methanimine

C7H13N — CID 142044769

IUPACN-[(E)-2-methylpent-1-enyl]methanimine
SMILESC=N/C=C(\C)CCC
InChIInChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h6H,3-5H2,1-2H3/b7-6+
InChIKeyHNJXTEHSPISMEG-VOTSOKGWSA-N
MW111.19 g/mol
LogP2.39
Rot. Bonds3

About N-[(E)-2-methylpent-1-enyl]methanimine

N-[(E)-2-methylpent-1-enyl]methanimine (PubChem CID 142044769) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-[(E)-2-methylpent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-methylpent-1-enyl]methanimine
PubChem CID142044769
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-[(E)-2-methylpent-1-enyl]methanimine
SMILESC=N/C=C(\C)CCC
InChIInChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h6H,3-5H2,1-2H3/b7-6+
InChIKeyHNJXTEHSPISMEG-VOTSOKGWSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.39
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

(Z)-N-ethyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine
CID 155175001
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-en-1-amine
CID 139514431
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
N-methylidene-2-[1-[[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]amino]ethylidene]-N'-propylpentanimidamide
CID 174245456
1-(2-methylpent-1-enyl)cyclopropene
CID 123481940
1-iodo-2-methylpent-1-ene
CID 73232688
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
CID 174264899
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
CID 142029528
4-methyl-7-methylidenedec-4-ene
CID 173283032
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylpent-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-methylpent-1-enyl]methanimine (CID 142044769) is N-[(E)-2-methylpent-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-methylpent-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-methylpent-1-enyl]methanimine is C=N/C=C(\C)CCC.
What is the InChIKey of N-[(E)-2-methylpent-1-enyl]methanimine?
The InChIKey is HNJXTEHSPISMEG-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-7(2)6-8-3/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of N-[(E)-2-methylpent-1-enyl]methanimine?
N-[(E)-2-methylpent-1-enyl]methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylpent-1-enyl]methanimine is sourced from PubChem (CID 142044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).