1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

C18H34N2O — CID 115998319

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)C1CC2CCC(C1)N2C
InChIInChI=1S/C18H34N2O/c1-3-10-19-18(9-8-17-5-4-11-21-17)14-12-15-6-7-16(13-14)20(15)2/h14-19H,3-13H2,1-2H3
InChIKeyBFEGMTDHMQTLKV-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds7

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 115998319) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID115998319
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)C1CC2CCC(C1)N2C
InChIInChI=1S/C18H34N2O/c1-3-10-19-18(9-8-17-5-4-11-21-17)14-12-15-6-7-16(13-14)20(15)2/h14-19H,3-13H2,1-2H3
InChIKeyBFEGMTDHMQTLKV-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine with MolForge

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Related Compounds

3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 115998319) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is BFEGMTDHMQTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-10-19-18(9-8-17-5-4-11-21-17)14-12-15-6-7-16(13-14)20(15)2/h14-19H,3-13H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 115998319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).