3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine

C14H20N4 — CID 106166028

IUPAC3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1cnnc2ccccc12
InChIInChI=1S/C14H20N4/c1-3-14(2,8-9-15)17-13-10-16-18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,18)
InChIKeyAAULGYKINRCLDK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.56
Rot. Bonds5

About 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine

3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine (PubChem CID 106166028) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine
PubChem CID106166028
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1cnnc2ccccc12
InChIInChI=1S/C14H20N4/c1-3-14(2,8-9-15)17-13-10-16-18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,18)
InChIKeyAAULGYKINRCLDK-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine?
The IUPAC name of 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine (CID 106166028) is 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine is CCC(C)(CCN)Nc1cnnc2ccccc12.
What is the InChIKey of 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine?
The InChIKey is AAULGYKINRCLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-14(2,8-9-15)17-13-10-16-18-12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,15H2,1-2H3,(H,17,18).
What are the key properties of 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine?
3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cinnolin-4-yl-3-methylpentane-1,3-diamine is sourced from PubChem (CID 106166028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).