N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H30N2 — CID 61230427

IUPACN-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2/c1-3-5-6-10-17(9-4-2)15-11-13-7-8-14(12-15)16-13/h13-16H,3-12H2,1-2H3
InChIKeyBBTDVPWSEONEPR-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds7

About N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230427) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230427
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2/c1-3-5-6-10-17(9-4-2)15-11-13-7-8-14(12-15)16-13/h13-16H,3-12H2,1-2H3
InChIKeyBBTDVPWSEONEPR-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentyl-N-propyl-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

N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103181573
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54957813
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645056
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230427) is N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCCCN(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BBTDVPWSEONEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-6-10-17(9-4-2)15-11-13-7-8-14(12-15)16-13/h13-16H,3-12H2,1-2H3.
What are the key properties of N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).