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

C15H30N2O — CID 82744252

IUPACN-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCCC1CCC(NC)C(CN(C)C2CCOC2)C1
InChIInChI=1S/C15H30N2O/c1-4-12-5-6-15(16-2)13(9-12)10-17(3)14-7-8-18-11-14/h12-16H,4-11H2,1-3H3
InChIKeyJVHCWIXMXCXWMJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds5

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

N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine (PubChem CID 82744252) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
PubChem CID82744252
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
SMILESCCC1CCC(NC)C(CN(C)C2CCOC2)C1
InChIInChI=1S/C15H30N2O/c1-4-12-5-6-15(16-2)13(9-12)10-17(3)14-7-8-18-11-14/h12-16H,4-11H2,1-3H3
InChIKeyJVHCWIXMXCXWMJ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82743148
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82744332
4-ethyl-N-methyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 62615381
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63681524
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 63493764
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
2-[[butyl(cyclopropyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62610841
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870906
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]oxolan-3-amine
CID 82739455

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine (CID 82744252) is N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine is CCC1CCC(NC)C(CN(C)C2CCOC2)C1.
What is the InChIKey of N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
The InChIKey is JVHCWIXMXCXWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-12-5-6-15(16-2)13(9-12)10-17(3)14-7-8-18-11-14/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine?
N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82744252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).