N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine

C10H19N — CID 142400707

IUPACN-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)CCC(C)C
InChIInChI=1S/C10H19N/c1-8(2)6-7-9(3)10(4)11-5/h8H,5-7H2,1-4H3/b10-9-
InChIKeyBJHMLTHSENYHAG-KTKRTIGZSA-N
MW153.27 g/mol
LogP3.42
Rot. Bonds4

About N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine

N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine (PubChem CID 142400707) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine
PubChem CID142400707
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine
SMILESC=N/C(C)=C(/C)CCC(C)C
InChIInChI=1S/C10H19N/c1-8(2)6-7-9(3)10(4)11-5/h8H,5-7H2,1-4H3/b10-9-
InChIKeyBJHMLTHSENYHAG-KTKRTIGZSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.42
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)-3,6-dimethylhept-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine (CID 142400707) is N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine is C=N/C(C)=C(/C)CCC(C)C.
What is the InChIKey of N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine?
The InChIKey is BJHMLTHSENYHAG-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)6-7-9(3)10(4)11-5/h8H,5-7H2,1-4H3/b10-9-.
What are the key properties of N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine?
N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine is sourced from PubChem (CID 142400707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).