N-(3-methylpent-1-en-2-yl)methanimine

C7H13N — CID 90970765

IUPACN-(3-methylpent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)CC
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h6H,3-5H2,1-2H3
InChIKeyRWVLLTVWZWDDCR-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds3

About N-(3-methylpent-1-en-2-yl)methanimine

N-(3-methylpent-1-en-2-yl)methanimine (PubChem CID 90970765) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(3-methylpent-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-methylpent-1-en-2-yl)methanimine
PubChem CID90970765
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(3-methylpent-1-en-2-yl)methanimine
SMILESC=NC(=C)C(C)CC
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h6H,3-5H2,1-2H3
InChIKeyRWVLLTVWZWDDCR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-(3-methylbut-1-en-2-yl)methanimine
CID 23558843
N-(3-methylbut-1-en-2-yl)methanimine;yttrium
CID 59037959
N-(3-methylbut-1-en-2-yl)methanimine;tungsten(2+)
CID 59671569
N-(4-methylpent-1-en-2-yl)methanimine;tungsten(2+);yttrium
CID 60089866
N-(3-methylbut-1-en-2-yl)methanimine;hydrochloride
CID 87792893
N-(5-methylhex-2-en-3-yl)methanimine
CID 123547821
Methyl-methylidene-(4-methylpent-1-en-2-yl)azanium
CID 123739644
2-Isothiocyanato-4-methylpent-1-ene
CID 123940065
N-(4-methylhepta-1,2,6-trien-3-yl)methanimine
CID 129060280
N-(3-methylhexa-1,5-dien-2-yl)methanimine
CID 129060332
N-hex-1-en-2-ylmethanimine
CID 141782579
N-pent-1-en-2-ylmethanimine
CID 141885947

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-en-2-yl)methanimine?
The IUPAC name of N-(3-methylpent-1-en-2-yl)methanimine (CID 90970765) is N-(3-methylpent-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3-methylpent-1-en-2-yl)methanimine?
The canonical SMILES for N-(3-methylpent-1-en-2-yl)methanimine is C=NC(=C)C(C)CC.
What is the InChIKey of N-(3-methylpent-1-en-2-yl)methanimine?
The InChIKey is RWVLLTVWZWDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h6H,3-5H2,1-2H3.
What are the key properties of N-(3-methylpent-1-en-2-yl)methanimine?
N-(3-methylpent-1-en-2-yl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpent-1-en-2-yl)methanimine is sourced from PubChem (CID 90970765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).