N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine

C11H21N — CID 137401707

IUPACN-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine
SMILESC=N/C(C)=C\C(C)CC(C)(C)C
InChIInChI=1S/C11H21N/c1-9(7-10(2)12-6)8-11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7-
InChIKeyINMJDZUNVCODOG-YFHOEESVSA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds3

About N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine

N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine (PubChem CID 137401707) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine
PubChem CID137401707
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine
SMILESC=N/C(C)=C\C(C)CC(C)(C)C
InChIInChI=1S/C11H21N/c1-9(7-10(2)12-6)8-11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7-
InChIKeyINMJDZUNVCODOG-YFHOEESVSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
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

[(Z)-5-(methanidylideneamino)-2,2-dimethylhex-4-en-3-ylidene]tungsten
CID 59439322
N-(5,5-dimethyl-4-methylidenehex-2-en-2-yl)methanimine
CID 91121593
N-(2,2-dimethylhept-3-en-3-yl)methanimine
CID 91459972
N-(4-ethyl-4-methylhex-2-en-3-yl)methanimine
CID 123544813
N-(5-methylhex-2-en-3-yl)methanimine
CID 123547821
N-(5-ethylocta-2,3,6-trien-2-yl)methanimine
CID 138509603
N-[(E)-6-methyl-4-methylidenehept-2-en-2-yl]methanimine
CID 138567798
N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine
CID 138567807
N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine
CID 139315391
N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine
CID 139505611
N-[(Z)-2,7-dimethyloct-3-en-3-yl]methanimine;ethane
CID 142258401
N-[(3Z)-5,5,7,7-tetramethylocta-1,3-dien-4-yl]methanimine
CID 143872638

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine (CID 137401707) is N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine is C=N/C(C)=C\C(C)CC(C)(C)C.
What is the InChIKey of N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine?
The InChIKey is INMJDZUNVCODOG-YFHOEESVSA-N. The full InChI is InChI=1S/C11H21N/c1-9(7-10(2)12-6)8-11(3,4)5/h7,9H,6,8H2,1-5H3/b10-7-.
What are the key properties of N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine?
N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,6,6-trimethylhept-2-en-2-yl]methanimine is sourced from PubChem (CID 137401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).