N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine

C9H17N — CID 129136415

IUPACN-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine
SMILESC=N/C(=C\CC)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h7H,5-6H2,1-4H3/b8-7-
InChIKeyXHMMEVGIAAZBEX-FPLPWBNLSA-N
MW139.24 g/mol
LogP3.03
Rot. Bonds2

About N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine

N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine (PubChem CID 129136415) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine
PubChem CID129136415
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine
SMILESC=N/C(=C\CC)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h7H,5-6H2,1-4H3/b8-7-
InChIKeyXHMMEVGIAAZBEX-FPLPWBNLSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine?
The IUPAC name of N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine (CID 129136415) is N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine?
The canonical SMILES for N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine is C=N/C(=C\CC)C(C)(C)C.
What is the InChIKey of N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine?
The InChIKey is XHMMEVGIAAZBEX-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-8(10-5)9(2,3)4/h7H,5-6H2,1-4H3/b8-7-.
What are the key properties of N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine?
N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine has a molecular weight of 139.24 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,2-dimethylhex-3-en-3-yl]methanimine is sourced from PubChem (CID 129136415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).