N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine

C17H32N2 — CID 134277433

IUPACN-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CC1CCC=C2CCCNC21
InChIInChI=1S/C17H32N2/c1-4-8-14(3)19(5-2)13-16-10-6-9-15-11-7-12-18-17(15)16/h9,14,16-18H,4-8,10-13H2,1-3H3
InChIKeyMZAWLYGEIIUDQP-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.59
Rot. Bonds6

About N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine

N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine (PubChem CID 134277433) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine
PubChem CID134277433
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CC1CCC=C2CCCNC21
InChIInChI=1S/C17H32N2/c1-4-8-14(3)19(5-2)13-16-10-6-9-15-11-7-12-18-17(15)16/h9,14,16-18H,4-8,10-13H2,1-3H3
InChIKeyMZAWLYGEIIUDQP-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine?
The IUPAC name of N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine (CID 134277433) is N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine.
What is the SMILES notation for N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine?
The canonical SMILES for N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine is CCCC(C)N(CC)CC1CCC=C2CCCNC21.
What is the InChIKey of N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine?
The InChIKey is MZAWLYGEIIUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-8-14(3)19(5-2)13-16-10-6-9-15-11-7-12-18-17(15)16/h9,14,16-18H,4-8,10-13H2,1-3H3.
What are the key properties of N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine?
N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine has a molecular weight of 264.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,6,7,8,8a-octahydroquinolin-8-ylmethyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 134277433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).