[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine

C15H29NO — CID 64745349

IUPAC[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
SMILESCC1CCC(OC2(CN)CCCCC2)CC1C
InChIInChI=1S/C15H29NO/c1-12-6-7-14(10-13(12)2)17-15(11-16)8-4-3-5-9-15/h12-14H,3-11,16H2,1-2H3
InChIKeyCDRWUTADNIEJOE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds3

About [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine

[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine (PubChem CID 64745349) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
PubChem CID64745349
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
SMILESCC1CCC(OC2(CN)CCCCC2)CC1C
InChIInChI=1S/C15H29NO/c1-12-6-7-14(10-13(12)2)17-15(11-16)8-4-3-5-9-15/h12-14H,3-11,16H2,1-2H3
InChIKeyCDRWUTADNIEJOE-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
[1-(oxolan-3-yloxy)cycloheptyl]methanamine
CID 63558677
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 64731650
1-(3,4-dimethylcyclohexyl)oxy-1-(iodomethyl)-4-propylcyclohexane
CID 114774360
1-(bromomethyl)-1-cyclopropyloxycycloheptane
CID 165489771
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine (CID 64745349) is [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine is CC1CCC(OC2(CN)CCCCC2)CC1C.
What is the InChIKey of [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine?
The InChIKey is CDRWUTADNIEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-6-7-14(10-13(12)2)17-15(11-16)8-4-3-5-9-15/h12-14H,3-11,16H2,1-2H3.
What are the key properties of [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine?
[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine is sourced from PubChem (CID 64745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).