N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3 — CID 62739307

IUPACN-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)c1ccncc1
InChIInChI=1S/C17H27N3/c1-3-8-19-15-11-16-4-5-17(12-15)20(16)13(2)14-6-9-18-10-7-14/h6-7,9-10,13,15-17,19H,3-5,8,11-12H2,1-2H3
InChIKeyZDFXRXFUTHOMTL-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.14
Rot. Bonds5

About N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739307) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739307
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)c1ccncc1
InChIInChI=1S/C17H27N3/c1-3-8-19-15-11-16-4-5-17(12-15)20(16)13(2)14-6-9-18-10-7-14/h6-7,9-10,13,15-17,19H,3-5,8,11-12H2,1-2H3
InChIKeyZDFXRXFUTHOMTL-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
N-propyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860638
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738581
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
8-[(4-methyl-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114957602
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
N-propyl-8-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 107590090
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
methyl 3-methyl-2-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 62739694
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539

Frequently Asked Questions

What is the IUPAC name of N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739307) is N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2C(C)c1ccncc1.
What is the InChIKey of N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZDFXRXFUTHOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-8-19-15-11-16-4-5-17(12-15)20(16)13(2)14-6-9-18-10-7-14/h6-7,9-10,13,15-17,19H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-(1-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).