N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine

C16H27N — CID 15173163

IUPACN-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
SMILESC=N[C@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H27N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h7-8,15H,5-6,9-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyVKLBSCHQOBWQJU-JKSUJKDBSA-N
MW233.40 g/mol
LogP4.94
Rot. Bonds5

About N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine

N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine (PubChem CID 15173163) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
PubChem CID15173163
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
SMILESC=N[C@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C16H27N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h7-8,15H,5-6,9-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyVKLBSCHQOBWQJU-JKSUJKDBSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine with MolForge

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Related Compounds

(4R)-4-(2-isothiocyanatopropan-2-yl)-1-methylcyclohexene
CID 90670640
axinythiocyanate A
CID 44588454
(4R)-4-[(2S)-2-isothiocyanato-6-methylhept-5-en-2-yl]-1-methylcyclohexene
CID 23425791
(4R)-4-[(2S)-2-isocyano-6-methylhept-5-en-2-yl]-1-methylcyclohexene
CID 24179110
N-[1-methyl-4-(7-methylocta-2,4-dien-2-yl)cyclohexyl]methanimine
CID 162966383
1-Isopropyl-4-isothiocyanato-4-methylcyclohex-1-ene
CID 155666226
(4S)-4-(2-isocyanopropan-2-yl)-1-methylcyclohexene
CID 164666388
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
4-(2-Isocyano-6-methylhept-5-en-2-yl)-1-methylcyclohexene
CID 74051626
4-(5-Isocyano-5-methylhexan-2-yl)-1-methylcyclohexene
CID 58555311
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
CID 90899690
(4R)-6-(2-isocyanopropan-2-yl)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 123301417

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine?
The IUPAC name of N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine (CID 15173163) is N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine.
What is the SMILES notation for N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine?
The canonical SMILES for N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine is C=N[C@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1.
What is the InChIKey of N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine?
The InChIKey is VKLBSCHQOBWQJU-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)7-6-12-16(4,17-5)15-10-8-14(3)9-11-15/h7-8,15H,5-6,9-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine?
N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine has a molecular weight of 233.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine is sourced from PubChem (CID 15173163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).