N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H24N4O — CID 76916593

IUPACN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18)
InChIKeyQLSXBVQGOYDYJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds6

About N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916593) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916593
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18)
InChIKeyQLSXBVQGOYDYJT-UHFFFAOYSA-N
XLogP2.29
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[3-(Dimethylamino)propyl]-4-methylpyridin-2-amine
CID 158447563
6-[4-(Dimethylamino)butyl]-4-methylpyridin-2-amine
CID 164513506
N2,N2-dimethyl-5H,6H,7H-cyclopenta(b)pyridine-2,4-diamine
CID 652178
2-amino-5H,6H,7H-cyclopenta(b)pyridine-3-carbonitrile
CID 12377259
6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 10103217
(6-Methyl-2-(pyrrolidin-1-yl)pyridin-3-yl)methanamine
CID 45792660
1-Methyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[5,6]pyrido[2,3-b]azepin-6-amine
CID 904115
1-methyl-2,3,4,6,7,8-hexahydro-1H-cyclopenta[b][1,8]naphthyridin-5-amine
CID 1209115
1-Methyl-1,2,3,5,6,7-hexahydrocyclopenta[b]pyrrolo[3,2-e]pyridin-4-amine
CID 3709175
(2-Methyl-6-(pyrrolidin-1-yl)pyridin-4-yl)methanamine
CID 112756239
1,4,6-Trimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 14177029
N,N-dimethyl-4,6-dipropylpyridin-2-amine
CID 135044065

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916593) is N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is QLSXBVQGOYDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).