N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine

C17H28N4 — CID 115498530

IUPACN-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC1CN2CCCC2CN1c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C17H28N4/c1-13-11-20-10-6-7-14(20)12-21(13)16-9-5-8-15(18-16)19-17(2,3)4/h5,8-9,13-14H,6-7,10-12H2,1-4H3,(H,18,19)
InChIKeyRDEQRAJVDUQTHE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds2

About N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine

N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine (PubChem CID 115498530) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine
PubChem CID115498530
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine
SMILESCC1CN2CCCC2CN1c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C17H28N4/c1-13-11-20-10-6-7-14(20)12-21(13)16-9-5-8-15(18-16)19-17(2,3)4/h5,8-9,13-14H,6-7,10-12H2,1-4H3,(H,18,19)
InChIKeyRDEQRAJVDUQTHE-UHFFFAOYSA-N
XLogP2.96
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
CID 79925045
2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935118
2-(2,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931182
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102716047
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516
2-(6-chloropyridazin-3-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925110
N-[[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 79934416
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923603
2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943298
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine (CID 115498530) is N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine is CC1CN2CCCC2CN1c1cccc(NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
The InChIKey is RDEQRAJVDUQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-11-20-10-6-7-14(20)12-21(13)16-9-5-8-15(18-16)19-17(2,3)4/h5,8-9,13-14H,6-7,10-12H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine?
N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-amine is sourced from PubChem (CID 115498530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).