1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol

C14H25N3O — CID 79376914

IUPAC1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCNc1cc(CN(CC)CC(C)(C)O)ccn1
InChIInChI=1S/C14H25N3O/c1-5-15-13-9-12(7-8-16-13)10-17(6-2)11-14(3,4)18/h7-9,18H,5-6,10-11H2,1-4H3,(H,15,16)
InChIKeyWXXCHJVNHVPQCS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds7

About 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 79376914) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
PubChem CID79376914
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCNc1cc(CN(CC)CC(C)(C)O)ccn1
InChIInChI=1S/C14H25N3O/c1-5-15-13-9-12(7-8-16-13)10-17(6-2)11-14(3,4)18/h7-9,18H,5-6,10-11H2,1-4H3,(H,15,16)
InChIKeyWXXCHJVNHVPQCS-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
CID 55075419
2-[(2-amino-2-oxoethyl)-[[2-(ethylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62923572
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
2-[[2-(ethylamino)-4-pyridinyl]methyl-propan-2-ylamino]ethanol
CID 62465051
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
3-[2-(ethylamino)-4-pyridinyl]propan-1-ol
CID 57075658
1-[2,3-dihydro-1H-inden-5-ylmethyl(ethyl)amino]-2-methylpropan-2-ol
CID 78966629

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol (CID 79376914) is 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol is CCNc1cc(CN(CC)CC(C)(C)O)ccn1.
What is the InChIKey of 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is WXXCHJVNHVPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-15-13-9-12(7-8-16-13)10-17(6-2)11-14(3,4)18/h7-9,18H,5-6,10-11H2,1-4H3,(H,15,16).
What are the key properties of 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79376914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).