3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine

C18H32N2O — CID 22970189

IUPAC3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine
SMILESCOC1CCC(/N=C(C)/C(C)=N/C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-13-5-7-16(8-6-13)19-14(2)15(3)20-17-9-11-18(21-4)12-10-17/h13,16-18H,5-12H2,1-4H3/b19-14+,20-15+
InChIKeyWHOVVXVZYGDQML-PXXPDPNMSA-N
MW292.47 g/mol
LogP4.44
Rot. Bonds4

About 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine

3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine (PubChem CID 22970189) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine.

Molecular Properties

Compound Name3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine
PubChem CID22970189
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine
SMILESCOC1CCC(/N=C(C)/C(C)=N/C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32N2O/c1-13-5-7-16(8-6-13)19-14(2)15(3)20-17-9-11-18(21-4)12-10-17/h13,16-18H,5-12H2,1-4H3/b19-14+,20-15+
InChIKeyWHOVVXVZYGDQML-PXXPDPNMSA-N
XLogP4.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
1-methoxy-4-(4-methylcyclohexyl)cycloheptane
CID 130462304
ethane-1,2-diol;methoxycyclopropane
CID 174681664
1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
CID 143819312
1-hydroxy-2-(4-methylcyclohexyl)guanidine
CID 62481066
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
N'-(4-methylcyclohexyl)propanimidamide
CID 62049807
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 177059822
1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
CID 140593241
N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine
CID 21015060

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine?
The IUPAC name of 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine (CID 22970189) is 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine.
What is the SMILES notation for 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine?
The canonical SMILES for 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine is COC1CCC(/N=C(C)/C(C)=N/C2CCC(C)CC2)CC1.
What is the InChIKey of 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine?
The InChIKey is WHOVVXVZYGDQML-PXXPDPNMSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13-5-7-16(8-6-13)19-14(2)15(3)20-17-9-11-18(21-4)12-10-17/h13,16-18H,5-12H2,1-4H3/b19-14+,20-15+.
What are the key properties of 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine?
3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine has a molecular weight of 292.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine is sourced from PubChem (CID 22970189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).