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

C12H22N2O — CID 83033159

IUPACN-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1(C)CC(NC2=NCCCC2)CCO1
InChIInChI=1S/C12H22N2O/c1-12(2)9-10(6-8-15-12)14-11-5-3-4-7-13-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyCTAQKFJJQXOZFQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.12
Rot. Bonds1

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

N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 83033159) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID83033159
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC1(C)CC(NC2=NCCCC2)CCO1
InChIInChI=1S/C12H22N2O/c1-12(2)9-10(6-8-15-12)14-11-5-3-4-7-13-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyCTAQKFJJQXOZFQ-UHFFFAOYSA-N
XLogP2.12
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine (CID 83033159) is N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine is CC1(C)CC(NC2=NCCCC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is CTAQKFJJQXOZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)9-10(6-8-15-12)14-11-5-3-4-7-13-11/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 210.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 83033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).