N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine

C17H34N2 — CID 79470156

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC1CCC2CCCCC2N1
InChIInChI=1S/C17H34N2/c1-4-14(3)12-19(5-2)13-16-11-10-15-8-6-7-9-17(15)18-16/h14-18H,4-13H2,1-3H3
InChIKeySIYKDYUDKGKMRS-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 79470156) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
PubChem CID79470156
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
SMILESCCC(C)CN(CC)CC1CCC2CCCCC2N1
InChIInChI=1S/C17H34N2/c1-4-14(3)12-19(5-2)13-16-11-10-15-8-6-7-9-17(15)18-16/h14-18H,4-13H2,1-3H3
InChIKeySIYKDYUDKGKMRS-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine (CID 79470156) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine is CCC(C)CN(CC)CC1CCC2CCCCC2N1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is SIYKDYUDKGKMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-14(3)12-19(5-2)13-16-11-10-15-8-6-7-9-17(15)18-16/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 79470156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).