2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol

C12H21N3O — CID 62464699

IUPAC2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol
SMILESCNc1ncccc1CN(CCO)C(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)15(7-8-16)9-11-5-4-6-14-12(11)13-3/h4-6,10,16H,7-9H2,1-3H3,(H,13,14)
InChIKeyUZORTGFLKRAHAW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds6

About 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol

2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol (PubChem CID 62464699) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol
PubChem CID62464699
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol
SMILESCNc1ncccc1CN(CCO)C(C)C
InChIInChI=1S/C12H21N3O/c1-10(2)15(7-8-16)9-11-5-4-6-14-12(11)13-3/h4-6,10,16H,7-9H2,1-3H3,(H,13,14)
InChIKeyUZORTGFLKRAHAW-UHFFFAOYSA-N
XLogP1.33
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[propan-2-yl(propyl)amino]methyl]pyridin-2-amine
CID 62470249
N-ethyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]propan-2-amine
CID 62469778
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
CID 62465917
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-6-methylphenol
CID 115903809
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
N-methyl-3-(propan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467144
2-chloro-6-[[2-hydroxyethyl(propan-2-yl)amino]methyl]phenol
CID 115903812
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
3-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboximidamide
CID 62894556
2-[[2-(difluoromethoxy)phenyl]methyl-propan-2-ylamino]ethanol
CID 62022111
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol (CID 62464699) is 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol is CNc1ncccc1CN(CCO)C(C)C.
What is the InChIKey of 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol?
The InChIKey is UZORTGFLKRAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15(7-8-16)9-11-5-4-6-14-12(11)13-3/h4-6,10,16H,7-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol?
2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-3-pyridinyl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62464699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).