4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide

C17H25N5 — CID 86002691

IUPAC4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide
SMILESCCCCCC/N=C(\N)c1nnc2cc(C)cc(C)c2c1N
InChIInChI=1S/C17H25N5/c1-4-5-6-7-8-20-17(19)16-15(18)14-12(3)9-11(2)10-13(14)21-22-16/h9-10H,4-8H2,1-3H3,(H2,18,21)(H2,19,20)
InChIKeyUQFJXOAIBOICQQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.11
Rot. Bonds6

About 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide

4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide (PubChem CID 86002691) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide
PubChem CID86002691
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide
SMILESCCCCCC/N=C(\N)c1nnc2cc(C)cc(C)c2c1N
InChIInChI=1S/C17H25N5/c1-4-5-6-7-8-20-17(19)16-15(18)14-12(3)9-11(2)10-13(14)21-22-16/h9-10H,4-8H2,1-3H3,(H2,18,21)(H2,19,20)
InChIKeyUQFJXOAIBOICQQ-UHFFFAOYSA-N
XLogP3.11
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.11
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'}

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Related Compounds

4-amino-5,7-dimethylcinnoline-3-carboxylic acid
CID 82393494
N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane
CID 143092448
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723
N'-hexylpropanimidamide
CID 62048653
4-methyl-N'-propylpyridine-2-carboximidamide
CID 63839800
N'-dodecyl-2-hydroxyethanimidamide
CID 90353251
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide?
The IUPAC name of 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide (CID 86002691) is 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide?
The canonical SMILES for 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide is CCCCCC/N=C(\N)c1nnc2cc(C)cc(C)c2c1N.
What is the InChIKey of 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide?
The InChIKey is UQFJXOAIBOICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-5-6-7-8-20-17(19)16-15(18)14-12(3)9-11(2)10-13(14)21-22-16/h9-10H,4-8H2,1-3H3,(H2,18,21)(H2,19,20).
What are the key properties of 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide?
4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide has a molecular weight of 299.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hexyl-5,7-dimethylcinnoline-3-carboximidamide is sourced from PubChem (CID 86002691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).