1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine

C12H22N4 — CID 79086742

IUPAC1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccnc1N
InChIInChI=1S/C12H22N4/c1-3-16(4-2)9-7-11(13)10-6-5-8-15-12(10)14/h5-6,8,11H,3-4,7,9,13H2,1-2H3,(H2,14,15)
InChIKeyMSJNPISHQAZKMT-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.40
Rot. Bonds6

About 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine

1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 79086742) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID79086742
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cccnc1N
InChIInChI=1S/C12H22N4/c1-3-16(4-2)9-7-11(13)10-6-5-8-15-12(10)14/h5-6,8,11H,3-4,7,9,13H2,1-2H3,(H2,14,15)
InChIKeyMSJNPISHQAZKMT-UHFFFAOYSA-N
XLogP1.40
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
3-[(1S)-1-aminopropyl]pyridin-2-amine;hydrochloride
CID 171230912
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
(4S)-4-amino-4-(2-amino-3-pyridinyl)butan-1-ol
CID 171230946
3-[(1R)-1-amino-3-methylbut-3-enyl]pyridin-2-amine;hydrochloride
CID 171211338
(1R,2R)-2-amino-1-(2-amino-3-pyridinyl)butan-1-ol
CID 130848050
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine (CID 79086742) is 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCC(N)c1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is MSJNPISHQAZKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16(4-2)9-7-11(13)10-6-5-8-15-12(10)14/h5-6,8,11H,3-4,7,9,13H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine?
1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 79086742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).