N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C15H28N4 — CID 83122520

IUPACN'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ccc(C(C)N)nc1
InChIInChI=1S/C15H28N4/c1-12(2)11-19(9-8-18(4)5)14-6-7-15(13(3)16)17-10-14/h6-7,10,12-13H,8-9,11,16H2,1-5H3
InChIKeyYAIXVGVJKHKDDK-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.13
Rot. Bonds7

About N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 83122520) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID83122520
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1ccc(C(C)N)nc1
InChIInChI=1S/C15H28N4/c1-12(2)11-19(9-8-18(4)5)14-6-7-15(13(3)16)17-10-14/h6-7,10,12-13H,8-9,11,16H2,1-5H3
InChIKeyYAIXVGVJKHKDDK-UHFFFAOYSA-N
XLogP2.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 83123025
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
6-(1-aminoethyl)-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 83128029
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
6-[(1S)-1-aminoethyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 83123142
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
6-(1-aminoethyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 83127170
(1S)-1-[5-[2-methoxyethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938533

Frequently Asked Questions

What is the IUPAC name of N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 83122520) is N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1ccc(C(C)N)nc1.
What is the InChIKey of N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YAIXVGVJKHKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)11-19(9-8-18(4)5)14-6-7-15(13(3)16)17-10-14/h6-7,10,12-13H,8-9,11,16H2,1-5H3.
What are the key properties of N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 83122520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).