3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine

C17H34N2O — CID 103060612

IUPAC3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1CN(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)8-10-19(16-6-4-5-7-16)12-15-13-20-11-9-17(15)18-3/h14-18H,4-13H2,1-3H3
InChIKeyAXKXCRGXSWURKM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine

3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine (PubChem CID 103060612) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
PubChem CID103060612
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine
SMILESCNC1CCOCC1CN(CCC(C)C)C1CCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)8-10-19(16-6-4-5-7-16)12-15-13-20-11-9-17(15)18-3/h14-18H,4-13H2,1-3H3
InChIKeyAXKXCRGXSWURKM-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-[[4-(methylamino)oxan-3-yl]methyl]amino]ethanol
CID 103059443
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976656
1-[methyl-[[4-(methylamino)oxan-3-yl]methyl]amino]propan-2-ol
CID 103059860
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746803
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
2-[cyclobutyl-[[2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870950
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 78991235
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine?
The IUPAC name of 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine (CID 103060612) is 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine?
The canonical SMILES for 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine is CNC1CCOCC1CN(CCC(C)C)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine?
The InChIKey is AXKXCRGXSWURKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)8-10-19(16-6-4-5-7-16)12-15-13-20-11-9-17(15)18-3/h14-18H,4-13H2,1-3H3.
What are the key properties of 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine?
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(3-methylbutyl)amino]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 103060612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).