N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine

C11H22N2O — CID 79504084

IUPACN-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCC(COC)NC1=NCCCC1
InChIInChI=1S/C11H22N2O/c1-3-6-10(9-14-2)13-11-7-4-5-8-12-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyDBOFXZGTOVYRQA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.97
Rot. Bonds5

About N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79504084) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79504084
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCCC(COC)NC1=NCCCC1
InChIInChI=1S/C11H22N2O/c1-3-6-10(9-14-2)13-11-7-4-5-8-12-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyDBOFXZGTOVYRQA-UHFFFAOYSA-N
XLogP1.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79504084) is N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine is CCCC(COC)NC1=NCCCC1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is DBOFXZGTOVYRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-6-10(9-14-2)13-11-7-4-5-8-12-11/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 198.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79504084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).