4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine

C14H28N2O — CID 66391124

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-4-7-15-11(2)8-12(3)16-9-13-5-6-14(10-16)17-13/h11-15H,4-10H2,1-3H3
InChIKeyGUHZLKZMDKHZNB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds6

About 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine

4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine (PubChem CID 66391124) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
PubChem CID66391124
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-4-7-15-11(2)8-12(3)16-9-13-5-6-14(10-16)17-13/h11-15H,4-10H2,1-3H3
InChIKeyGUHZLKZMDKHZNB-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243
4-(3-tert-butylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 113417228
N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64706614
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
CID 66369464
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79932028
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840
4-cyclopropyl-N-propylpentan-2-amine
CID 64721662
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
N-[1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 104746643
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79931477
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66391503

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine (CID 66391124) is 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine is CCCNC(C)CC(C)N1CC2CCC(C1)O2.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine?
The InChIKey is GUHZLKZMDKHZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-15-11(2)8-12(3)16-9-13-5-6-14(10-16)17-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine?
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 66391124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).