N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

C12H21N3 — CID 63264719

IUPACN'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCCN(CCCN)CCc1cccnc1
InChIInChI=1S/C12H21N3/c1-2-15(9-4-7-13)10-6-12-5-3-8-14-11-12/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3
InChIKeyGUBITUYRCFFAMH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.29
Rot. Bonds7

About N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (PubChem CID 63264719) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
PubChem CID63264719
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCCN(CCCN)CCc1cccnc1
InChIInChI=1S/C12H21N3/c1-2-15(9-4-7-13)10-6-12-5-3-8-14-11-12/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3
InChIKeyGUBITUYRCFFAMH-UHFFFAOYSA-N
XLogP1.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
3-[ethyl(2-pyridin-3-ylethyl)amino]propanethioamide
CID 63264785
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
CID 63262604
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (CID 63264719) is N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is CCN(CCCN)CCc1cccnc1.
What is the InChIKey of N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The InChIKey is GUBITUYRCFFAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-15(9-4-7-13)10-6-12-5-3-8-14-11-12/h3,5,8,11H,2,4,6-7,9-10,13H2,1H3.
What are the key properties of N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 63264719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).