2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H24N4 — CID 63981692

IUPAC2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N(C)C(C)(C)CC)CCC2
InChIInChI=1S/C15H24N4/c1-5-15(2,3)19(4)14-11(13(16)17)9-10-7-6-8-12(10)18-14/h9H,5-8H2,1-4H3,(H3,16,17)
InChIKeyNYNRLILPJKDJOV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds4

About 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 63981692) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID63981692
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(nc1N(C)C(C)(C)CC)CCC2
InChIInChI=1S/C15H24N4/c1-5-15(2,3)19(4)14-11(13(16)17)9-10-7-6-8-12(10)18-14/h9H,5-8H2,1-4H3,(H3,16,17)
InChIKeyNYNRLILPJKDJOV-UHFFFAOYSA-N
XLogP2.48
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-hydroxy-2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 77014183
2-[methyl(2-methylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63958272
2-[2-ethoxyethyl(ethyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 63697557
N'-hydroxy-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 104863970
2-(4-propylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 62201293
2-(1-ethoxypropan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 103488627
2-[(3-carbamimidoyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-methylacetamide
CID 114231755
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63523815
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79376792
2-(3-hydroxypropylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 66113206
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 106922808

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 63981692) is 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(nc1N(C)C(C)(C)CC)CCC2.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is NYNRLILPJKDJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-15(2,3)19(4)14-11(13(16)17)9-10-7-6-8-12(10)18-14/h9H,5-8H2,1-4H3,(H3,16,17).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 260.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 63981692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).