N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H32N2 — CID 107007984

IUPACN-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCCCCCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-12-19(11-4-2)17-13-15-9-10-16(14-17)18-15/h3,15-18H,1,4-14H2,2H3
InChIKeyQKDNINSURPRJMR-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.73
Rot. Bonds9

About N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107007984) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107007984
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCCCCCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H32N2/c1-3-5-6-7-8-12-19(11-4-2)17-13-15-9-10-16(14-17)18-15/h3,15-18H,1,4-14H2,2H3
InChIKeyQKDNINSURPRJMR-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hept-6-enyl-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-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-hept-6-enyl-N-propylpiperidin-3-amine
CID 107008007
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
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
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
N,N-dibutylhept-6-en-1-amine
CID 126749828
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645056

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107007984) is N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is C=CCCCCCN(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QKDNINSURPRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-5-6-7-8-12-19(11-4-2)17-13-15-9-10-16(14-17)18-15/h3,15-18H,1,4-14H2,2H3.
What are the key properties of N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 264.46 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107007984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).