1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine

C14H20N4 — CID 63586754

IUPAC1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1cnnc2ccccc12
InChIInChI=1S/C14H20N4/c1-14(2,18(3)4)10-15-13-9-16-17-12-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyRDDHPAIJNZDPQK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.38
Rot. Bonds4

About 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 63586754) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID63586754
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1cnnc2ccccc12
InChIInChI=1S/C14H20N4/c1-14(2,18(3)4)10-15-13-9-16-17-12-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyRDDHPAIJNZDPQK-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 63586754) is 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNc1cnnc2ccccc12.
What is the InChIKey of 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is RDDHPAIJNZDPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,18(3)4)10-15-13-9-16-17-12-8-6-5-7-11(12)13/h5-9H,10H2,1-4H3,(H,15,17).
What are the key properties of 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 63586754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).