N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine

C14H28N2O — CID 66369464

IUPACN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-3-4-5-8-15-9-12(2)16-10-13-6-7-14(11-16)17-13/h12-15H,3-11H2,1-2H3
InChIKeyDTURBYPDLLFFNI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds7

About N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine

N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine (PubChem CID 66369464) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
PubChem CID66369464
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-3-4-5-8-15-9-12(2)16-10-13-6-7-14(11-16)17-13/h12-15H,3-11H2,1-2H3
InChIKeyDTURBYPDLLFFNI-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-prop-2-enylpropan-1-amine
CID 66371810
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpentan-2-amine
CID 66391124
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]butan-1-amine
CID 66372207
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]pentan-1-amine
CID 62568280
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)propyl]pentan-1-amine
CID 107459676
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine (CID 66369464) is N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine is CCCCCNCC(C)N1CC2CCC(C1)O2.
What is the InChIKey of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine?
The InChIKey is DTURBYPDLLFFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-4-5-8-15-9-12(2)16-10-13-6-7-14(11-16)17-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine?
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-1-amine is sourced from PubChem (CID 66369464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).