N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine

C8H15N — CID 163452027

IUPACN-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine
SMILESC=N/C=C(/C)[C@@H](C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1
InChIKeyBHKDJRKGAXTOAN-VQKCLUMFSA-N
MW125.21 g/mol
LogP2.64
Rot. Bonds3

About N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine

N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine (PubChem CID 163452027) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine
PubChem CID163452027
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine
SMILESC=N/C=C(/C)[C@@H](C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1
InChIKeyBHKDJRKGAXTOAN-VQKCLUMFSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.64
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-fluoro-2,3-dimethylpent-1-enyl]methanimine
CID 169603742
N-[(E)-2-fluoro-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 178114617
N-(3-methyl-2-methylidenepentyl)methanimine
CID 22946739
4-Ethyl-5-methyl-3,4-dihydropyridine
CID 90718707
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
N-(2-ethenyl-3-ethylpent-1-enyl)methanimine
CID 123606465
N-(2,3-dimethylpent-1-enyl)ethanimine
CID 123621447
N-[(Z)-2,3-dimethylpent-1-enyl]ethanimine
CID 123688543
N-(3-butyl-2-methyloct-1-enyl)methanimine
CID 123742477
N-[(1Z,3S)-3-ethylhexa-1,5-dienyl]methanimine
CID 129074589
N-[(Z)-2,3-dimethylbut-1-enyl]methanimine
CID 129099752

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine?
The IUPAC name of N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine (CID 163452027) is N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine is C=N/C=C(/C)[C@@H](C)CC.
What is the InChIKey of N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine?
The InChIKey is BHKDJRKGAXTOAN-VQKCLUMFSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h6-7H,4-5H2,1-3H3/b8-6-/t7-/m0/s1.
What are the key properties of N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine?
N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine is sourced from PubChem (CID 163452027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).