8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2O — CID 55106138

IUPAC8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1CCCO1
InChIInChI=1S/C15H28N2O/c1-2-7-16-12-9-13-5-6-14(10-12)17(13)11-15-4-3-8-18-15/h12-16H,2-11H2,1H3
InChIKeyJIYYRWGAQVAXBI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds5

About 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106138) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106138
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1CCCO1
InChIInChI=1S/C15H28N2O/c1-2-7-16-12-9-13-5-6-14(10-12)17(13)11-15-4-3-8-18-15/h12-16H,2-11H2,1H3
InChIKeyJIYYRWGAQVAXBI-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
9-(1,4-dioxan-2-ylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713469
3-ethyl-1-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 114507661
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
8-[[1-(dimethylamino)cyclopentyl]methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83114315
N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114136231

Frequently Asked Questions

What is the IUPAC name of 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55106138) is 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2CC1CCCO1.
What is the InChIKey of 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JIYYRWGAQVAXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-7-16-12-9-13-5-6-14(10-12)17(13)11-15-4-3-8-18-15/h12-16H,2-11H2,1H3.
What are the key properties of 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).