7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine

C16H32N2 — CID 43628297

IUPAC7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCCC2CCCCC21
InChIInChI=1S/C16H32N2/c17-12-6-2-1-3-7-13-18-14-8-10-15-9-4-5-11-16(15)18/h15-16H,1-14,17H2
InChIKeyUYFWEJYHSSBYED-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds7

About 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine

7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine (PubChem CID 43628297) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
PubChem CID43628297
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCCC2CCCCC21
InChIInChI=1S/C16H32N2/c17-12-6-2-1-3-7-13-18-14-8-10-15-9-4-5-11-16(15)18/h15-16H,1-14,17H2
InChIKeyUYFWEJYHSSBYED-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine with MolForge

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Related Compounds

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexane-1-thiol
CID 102729068
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentane-1-thiol
CID 102729051
5-(2-cyclopentylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 55073555
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-propylhexan-1-amine
CID 102728574
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
1-pent-4-ynyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 115872657
(4aR,8aR)-1-(3-azidopropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727800
2-amino-6-(2-cyclopentylpyrrolidin-1-yl)-2-methylhexan-1-ol
CID 64826534
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-one
CID 106801610
1-(4-aminobutyl)pyrrolidin-2-ol
CID 101255964
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-methylhexan-1-amine
CID 82750292

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine?
The IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine (CID 43628297) is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine is NCCCCCCCN1CCCC2CCCCC21.
What is the InChIKey of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine?
The InChIKey is UYFWEJYHSSBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c17-12-6-2-1-3-7-13-18-14-8-10-15-9-4-5-11-16(15)18/h15-16H,1-14,17H2.
What are the key properties of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine?
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine is sourced from PubChem (CID 43628297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).