1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

C13H24N4 — CID 79087902

IUPAC1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cnccc1N
InChIInChI=1S/C13H24N4/c1-4-17(5-2)9-7-13(15-3)11-10-16-8-6-12(11)14/h6,8,10,13,15H,4-5,7,9H2,1-3H3,(H2,14,16)
InChIKeySRCOQOAWECRCRD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.66
Rot. Bonds7

About 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine

1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (PubChem CID 79087902) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
PubChem CID79087902
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cnccc1N
InChIInChI=1S/C13H24N4/c1-4-17(5-2)9-7-13(15-3)11-10-16-8-6-12(11)14/h6,8,10,13,15H,4-5,7,9H2,1-3H3,(H2,14,16)
InChIKeySRCOQOAWECRCRD-UHFFFAOYSA-N
XLogP1.66
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
3-[4-(diethylamino)-2-hydrazinylbutyl]pyridin-4-amine
CID 105244246
1-(4-amino-3-pyridinyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092538
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
CID 130280061
N'-ethyl-N-methyl-1-phenyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62612946
4-[1-(4-amino-3-pyridinyl)propylamino]phenol
CID 22164908
3-[2-ethyl-2-methoxy-1-(methylamino)butyl]pyridin-4-amine
CID 116760962
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
CID 105244064

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine (CID 79087902) is 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
The InChIKey is SRCOQOAWECRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17(5-2)9-7-13(15-3)11-10-16-8-6-12(11)14/h6,8,10,13,15H,4-5,7,9H2,1-3H3,(H2,14,16).
What are the key properties of 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine?
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79087902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).