N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine

C15H22N4 — CID 155532114

IUPACN',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cccnc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)12-6-10-16-14-8-11-17-13-7-5-9-18-15(13)14/h5,7-9,11H,3-4,6,10,12H2,1-2H3,(H,16,17)
InChIKeyXRDVFEXTFKDPGT-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.77
Rot. Bonds7

About N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine (PubChem CID 155532114) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine
PubChem CID155532114
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cccnc12
InChIInChI=1S/C15H22N4/c1-3-19(4-2)12-6-10-16-14-8-11-17-13-7-5-9-18-15(13)14/h5,7-9,11H,3-4,6,10,12H2,1-2H3,(H,16,17)
InChIKeyXRDVFEXTFKDPGT-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
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',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine (CID 155532114) is N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1ccnc2cccnc12.
What is the InChIKey of N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine?
The InChIKey is XRDVFEXTFKDPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(4-2)12-6-10-16-14-8-11-17-13-7-5-9-18-15(13)14/h5,7-9,11H,3-4,6,10,12H2,1-2H3,(H,16,17).
What are the key properties of N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 155532114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).