N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine

C9H17N3 — CID 166943293

IUPACN-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine
SMILESCNC1CCN2C=CCNC2C1
InChIInChI=1S/C9H17N3/c1-10-8-3-6-12-5-2-4-11-9(12)7-8/h2,5,8-11H,3-4,6-7H2,1H3
InChIKeyJRXWWBPICJRLJL-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.11
Rot. Bonds1

About N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine

N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine (PubChem CID 166943293) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine.

Molecular Properties

Compound NameN-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine
PubChem CID166943293
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine
SMILESCNC1CCN2C=CCNC2C1
InChIInChI=1S/C9H17N3/c1-10-8-3-6-12-5-2-4-11-9(12)7-8/h2,5,8-11H,3-4,6-7H2,1H3
InChIKeyJRXWWBPICJRLJL-UHFFFAOYSA-N
XLogP0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine with MolForge

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Related Compounds

3-cyclohexyl-2-methyl-2,6-dihydro-1H-pyrimidine
CID 20479149
2-Piperidin-1-yl-1,2-dihydropyridine
CID 21878399
9-Methyl-1,2,6,7,8,9a-hexahydropyrimido[1,2-a]pyrimidine
CID 22361674
1-methyl-N-prop-1-enylpiperidin-4-amine
CID 57636047
N-(piperidin-1-ylmethyl)prop-1-en-1-amine
CID 59040095
7-Methyl-1,2,6,8,9,9a-hexahydropyrimido[1,6-a]pyrimidine
CID 67249317
1-piperidin-4-yl-2H-pyridin-2-amine;trihydrochloride
CID 67530633
1-piperidin-4-yl-2H-pyridin-2-amine
CID 67530634
3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine
CID 67626098
2-N'-ethyl-2-N'-(1-methylpiperidin-4-yl)-2-N-propan-2-yl-1H-pyridine-2,2-diamine
CID 67770603
1-piperidin-2-yl-2H-pyridine
CID 69375797
2,3,4,4a,5,6-hexahydro-1H-pyrido[1,2-c]pyrimidine
CID 70438905

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine?
The IUPAC name of N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine (CID 166943293) is N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine.
What is the SMILES notation for N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine?
The canonical SMILES for N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine is CNC1CCN2C=CCNC2C1.
What is the InChIKey of N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine?
The InChIKey is JRXWWBPICJRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-10-8-3-6-12-5-2-4-11-9(12)7-8/h2,5,8-11H,3-4,6-7H2,1H3.
What are the key properties of N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine?
N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine has a molecular weight of 167.26 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidin-8-amine is sourced from PubChem (CID 166943293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).