N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine

C14H22N4 — CID 3068043

IUPACN',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C14H22N4/c1-3-18(4-2)11-7-10-15-14-12-8-5-6-9-13(12)16-17-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16,17)
InChIKeyPAUXKWZTVHMMJP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.71
Rot. Bonds7

About N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine

N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine (PubChem CID 3068043) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine
PubChem CID3068043
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1n[nH]c2ccccc12
InChIInChI=1S/C14H22N4/c1-3-18(4-2)11-7-10-15-14-12-8-5-6-9-13(12)16-17-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16,17)
InChIKeyPAUXKWZTVHMMJP-UHFFFAOYSA-N
XLogP2.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine (CID 3068043) is N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine is CCN(CC)CCCNc1n[nH]c2ccccc12.
What is the InChIKey of N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine?
The InChIKey is PAUXKWZTVHMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-18(4-2)11-7-10-15-14-12-8-5-6-9-13(12)16-17-14/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,15,16,17).
What are the key properties of N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine?
N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1H-indazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 3068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).