N-(3-methylpent-1-enyl)methanimine

C7H13N — CID 123531552

IUPACN-(3-methylpent-1-enyl)methanimine
SMILESC=NC=CC(C)CC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-7H,3-4H2,1-2H3
InChIKeyRTGUZYJIOBNNMA-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.25
Rot. Bonds3

About N-(3-methylpent-1-enyl)methanimine

N-(3-methylpent-1-enyl)methanimine (PubChem CID 123531552) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(3-methylpent-1-enyl)methanimine.

Molecular Properties

Compound NameN-(3-methylpent-1-enyl)methanimine
PubChem CID123531552
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(3-methylpent-1-enyl)methanimine
SMILESC=NC=CC(C)CC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-7H,3-4H2,1-2H3
InChIKeyRTGUZYJIOBNNMA-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-[(Z)-4-fluoropent-1-enyl]methanimine
CID 163859458
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
N-[(E)-but-1-enyl]methanimine
CID 21348938
N-(3-methylbut-1-enyl)methanimine
CID 23558826
1-Isocyanato-4-methylpent-1-ene
CID 53907051
[(Z)-1-(methanidylideneamino)-4-methylpent-1-en-3-ylidene]vanadium
CID 58794233
(3S)-3-methyl-3,4-dihydropyridine
CID 59014450
N-but-1-enylmethanimine
CID 73782489
4-Methyl-1-azacyclohepta-1,2,6-triene
CID 89030416
N-[(Z)-3-methylpent-1-enyl]methanimine
CID 89064206

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-enyl)methanimine?
The IUPAC name of N-(3-methylpent-1-enyl)methanimine (CID 123531552) is N-(3-methylpent-1-enyl)methanimine.
What is the SMILES notation for N-(3-methylpent-1-enyl)methanimine?
The canonical SMILES for N-(3-methylpent-1-enyl)methanimine is C=NC=CC(C)CC.
What is the InChIKey of N-(3-methylpent-1-enyl)methanimine?
The InChIKey is RTGUZYJIOBNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(3-methylpent-1-enyl)methanimine?
N-(3-methylpent-1-enyl)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-enyl)methanimine is sourced from PubChem (CID 123531552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).