N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine

C15H30N2O — CID 82743148

IUPACN-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCNC1CCC(C)(C)CC1CN(C)C1CCOC1
InChIInChI=1S/C15H30N2O/c1-15(2)7-5-14(16-3)12(9-15)10-17(4)13-6-8-18-11-13/h12-14,16H,5-11H2,1-4H3
InChIKeyHETBREIBFFTHBK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds4

About N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine

N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine (PubChem CID 82743148) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
PubChem CID82743148
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCNC1CCC(C)(C)CC1CN(C)C1CCOC1
InChIInChI=1S/C15H30N2O/c1-15(2)7-5-14(16-3)12(9-15)10-17(4)13-6-8-18-11-13/h12-14,16H,5-11H2,1-4H3
InChIKeyHETBREIBFFTHBK-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744252
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191271
N,N-dimethyl-3-[[methyl(oxan-4-yl)amino]methyl]oxan-4-amine
CID 143952966
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]oxolan-3-amine
CID 82739455
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259
2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486962
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-ol
CID 82754940
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]cyclohexan-1-ol
CID 82754506

Frequently Asked Questions

What is the IUPAC name of N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine (CID 82743148) is N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine is CNC1CCC(C)(C)CC1CN(C)C1CCOC1.
What is the InChIKey of N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is HETBREIBFFTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2)7-5-14(16-3)12(9-15)10-17(4)13-6-8-18-11-13/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82743148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).