3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide

C14H28N4 — CID 79935126

IUPAC3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CC2CCCCN2CC1C
InChIInChI=1S/C14H28N4/c1-11(2)8-16-14(15)18-10-13-6-4-5-7-17(13)9-12(18)3/h11-13H,4-10H2,1-3H3,(H2,15,16)
InChIKeyAHURUSHSPADNMW-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.52
Rot. Bonds2

About 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide

3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (PubChem CID 79935126) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
PubChem CID79935126
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CC2CCCCN2CC1C
InChIInChI=1S/C14H28N4/c1-11(2)8-16-14(15)18-10-13-6-4-5-7-17(13)9-12(18)3/h11-13H,4-10H2,1-3H3,(H2,15,16)
InChIKeyAHURUSHSPADNMW-UHFFFAOYSA-N
XLogP1.52
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-amino-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboximidamide
CID 79943950
(2S)-2-amino-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119890370
N'-hydroxy-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanimidamide
CID 79925192
ethyl 3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 78992352
5-amino-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-one
CID 82851880
2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]propanethioamide
CID 79931312
6-amino-4-methyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-one
CID 79931507
N'-hydroxy-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)cyclopropane-1-carboximidamide
CID 80594653
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 79931310
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 79935748
2,2-dimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 78992341
2-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanethioamide
CID 79922230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide (CID 79935126) is 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is CC(C)C/N=C(\N)N1CC2CCCCN2CC1C.
What is the InChIKey of 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is AHURUSHSPADNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)8-16-14(15)18-10-13-6-4-5-7-17(13)9-12(18)3/h11-13H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide?
3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 252.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 79935126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).