N-heptan-2-ylcinnolin-4-amine

C15H21N3 — CID 63587119

IUPACN-heptan-2-ylcinnolin-4-amine
SMILESCCCCCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-5-8-12(2)17-15-11-16-18-14-10-7-6-9-13(14)15/h6-7,9-12H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyYMAUNGFYQHEHEA-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds6

About N-heptan-2-ylcinnolin-4-amine

N-heptan-2-ylcinnolin-4-amine (PubChem CID 63587119) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-heptan-2-ylcinnolin-4-amine.

Molecular Properties

Compound NameN-heptan-2-ylcinnolin-4-amine
PubChem CID63587119
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-heptan-2-ylcinnolin-4-amine
SMILESCCCCCC(C)Nc1cnnc2ccccc12
InChIInChI=1S/C15H21N3/c1-3-4-5-8-12(2)17-15-11-16-18-14-10-7-6-9-13(14)15/h6-7,9-12H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyYMAUNGFYQHEHEA-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-ylcinnolin-4-amine
CID 63586030
3-(cinnolin-4-ylamino)butan-1-ol
CID 83187349
3-N-cinnolin-4-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 55215132
N-(4-methylsulfinylbutan-2-yl)cinnolin-4-amine
CID 113493566
N-propan-2-ylcinnolin-4-amine
CID 39733520
methyl 3-(cinnolin-4-ylamino)butanoate
CID 114283867
N-(7-methyloctyl)cinnolin-4-amine
CID 107816241
4-(heptan-2-ylamino)cinnoline-3-carbonitrile
CID 64897480
2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
CID 79246033
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-undecan-2-ylquinazolin-4-amine
CID 86111387
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-ylcinnolin-4-amine?
The IUPAC name of N-heptan-2-ylcinnolin-4-amine (CID 63587119) is N-heptan-2-ylcinnolin-4-amine.
What is the SMILES notation for N-heptan-2-ylcinnolin-4-amine?
The canonical SMILES for N-heptan-2-ylcinnolin-4-amine is CCCCCC(C)Nc1cnnc2ccccc12.
What is the InChIKey of N-heptan-2-ylcinnolin-4-amine?
The InChIKey is YMAUNGFYQHEHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-5-8-12(2)17-15-11-16-18-14-10-7-6-9-13(14)15/h6-7,9-12H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-heptan-2-ylcinnolin-4-amine?
N-heptan-2-ylcinnolin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylcinnolin-4-amine is sourced from PubChem (CID 63587119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).