N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine

C17H34N2O — CID 82743297

IUPACN-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
SMILESCCCNCC1(CN(C)C2CCOC2)CCCC(C)C1
InChIInChI=1S/C17H34N2O/c1-4-9-18-13-17(8-5-6-15(2)11-17)14-19(3)16-7-10-20-12-16/h15-16,18H,4-14H2,1-3H3
InChIKeyOODFMVXOTSVXCX-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds7

About N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine

N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine (PubChem CID 82743297) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
PubChem CID82743297
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
SMILESCCCNCC1(CN(C)C2CCOC2)CCCC(C)C1
InChIInChI=1S/C17H34N2O/c1-4-9-18-13-17(8-5-6-15(2)11-17)14-19(3)16-7-10-20-12-16/h15-16,18H,4-14H2,1-3H3
InChIKeyOODFMVXOTSVXCX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
CID 79480266
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
CID 62258238

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine (CID 82743297) is N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine is CCCNCC1(CN(C)C2CCOC2)CCCC(C)C1.
What is the InChIKey of N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine?
The InChIKey is OODFMVXOTSVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-9-18-13-17(8-5-6-15(2)11-17)14-19(3)16-7-10-20-12-16/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine?
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-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 N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine is sourced from PubChem (CID 82743297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).