N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine

C14H18N4 — CID 63586034

IUPACN'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
SMILESc1ccc2c(NCCCNC3CC3)cnnc2c1
InChIInChI=1S/C14H18N4/c1-2-5-13-12(4-1)14(10-17-18-13)16-9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2,(H,16,18)
InChIKeyYSJMFDHZHWXRNJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.18
Rot. Bonds6

About N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine

N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine (PubChem CID 63586034) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
PubChem CID63586034
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
SMILESc1ccc2c(NCCCNC3CC3)cnnc2c1
InChIInChI=1S/C14H18N4/c1-2-5-13-12(4-1)14(10-17-18-13)16-9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2,(H,16,18)
InChIKeyYSJMFDHZHWXRNJ-UHFFFAOYSA-N
XLogP2.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine?
The IUPAC name of N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine (CID 63586034) is N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine.
What is the SMILES notation for N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine?
The canonical SMILES for N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine is c1ccc2c(NCCCNC3CC3)cnnc2c1.
What is the InChIKey of N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine?
The InChIKey is YSJMFDHZHWXRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-5-13-12(4-1)14(10-17-18-13)16-9-3-8-15-11-6-7-11/h1-2,4-5,10-11,15H,3,6-9H2,(H,16,18).
What are the key properties of N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine?
N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine is sourced from PubChem (CID 63586034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).