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

C18H36N2 — CID 66470624

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC1CCC2CCCCC2N1
InChIInChI=1S/C18H36N2/c1-17(2,3)13-18(4,5)19-12-15-11-10-14-8-6-7-9-16(14)20-15/h14-16,19-20H,6-13H2,1-5H3
InChIKeyIVFRPUDSMYRKJK-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.10
Rot. Bonds4

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

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 66470624) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
PubChem CID66470624
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCC1CCC2CCCCC2N1
InChIInChI=1S/C18H36N2/c1-17(2,3)13-18(4,5)19-12-15-11-10-14-8-6-7-9-16(14)20-15/h14-16,19-20H,6-13H2,1-5H3
InChIKeyIVFRPUDSMYRKJK-UHFFFAOYSA-N
XLogP4.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
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)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine (CID 66470624) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCC1CCC2CCCCC2N1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is IVFRPUDSMYRKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)13-18(4,5)19-12-15-11-10-14-8-6-7-9-16(14)20-15/h14-16,19-20H,6-13H2,1-5H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 280.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 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)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 66470624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).