N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine

C12H21N3 — CID 82107787

IUPACN',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1ccncc1
InChIInChI=1S/C12H21N3/c1-3-15(4-2)10-12(9-13)11-5-7-14-8-6-11/h5-8,12H,3-4,9-10,13H2,1-2H3
InChIKeyKCLQYCDBTUXVST-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.47
Rot. Bonds6

About N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine

N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine (PubChem CID 82107787) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
PubChem CID82107787
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1ccncc1
InChIInChI=1S/C12H21N3/c1-3-15(4-2)10-12(9-13)11-5-7-14-8-6-11/h5-8,12H,3-4,9-10,13H2,1-2H3
InChIKeyKCLQYCDBTUXVST-UHFFFAOYSA-N
XLogP1.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine (CID 82107787) is N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine is CCN(CC)CC(CN)c1ccncc1.
What is the InChIKey of N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is KCLQYCDBTUXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-15(4-2)10-12(9-13)11-5-7-14-8-6-11/h5-8,12H,3-4,9-10,13H2,1-2H3.
What are the key properties of N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine?
N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 82107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).