9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

C14H26N2O — CID 103815957

IUPAC9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCOCC1CC1
InChIInChI=1S/C14H26N2O/c15-12-8-13-2-1-3-14(9-12)16(13)6-7-17-10-11-4-5-11/h11-14H,1-10,15H2
InChIKeyPBPKOWIYSBYKDG-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds5

About 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 103815957) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID103815957
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2CCOCC1CC1
InChIInChI=1S/C14H26N2O/c15-12-8-13-2-1-3-14(9-12)16(13)6-7-17-10-11-4-5-11/h11-14H,1-10,15H2
InChIKeyPBPKOWIYSBYKDG-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 103815957) is 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2CCOCC1CC1.
What is the InChIKey of 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is PBPKOWIYSBYKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-12-8-13-2-1-3-14(9-12)16(13)6-7-17-10-11-4-5-11/h11-14H,1-10,15H2.
What are the key properties of 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 103815957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).