4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol

C16H27N3O2 — CID 114950054

IUPAC4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC(C)c1ccc(N(C)CC2(O)CCOCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-4-17-13(2)15-6-5-14(11-18-15)19(3)12-16(20)7-9-21-10-8-16/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3
InChIKeyAHLABGLNGQPDRJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.73
Rot. Bonds6

About 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol

4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol (PubChem CID 114950054) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
PubChem CID114950054
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
SMILESCCNC(C)c1ccc(N(C)CC2(O)CCOCC2)cn1
InChIInChI=1S/C16H27N3O2/c1-4-17-13(2)15-6-5-14(11-18-15)19(3)12-16(20)7-9-21-10-8-16/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3
InChIKeyAHLABGLNGQPDRJ-UHFFFAOYSA-N
XLogP1.73
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 104985437
6-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 83122915
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
1-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985411
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
6-[1-(ethylamino)ethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 83122085
N-(2-ethoxyethyl)-6-[1-(ethylamino)ethyl]-N-methylpyridin-3-amine
CID 83127164
6-[1-(ethylamino)ethyl]-N-methyl-N-(2-propan-2-yloxyethyl)pyridin-3-amine
CID 83127484
1-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121929
N-ethyl-1-(5-morpholin-4-yl-2-pyridinyl)ethanamine
CID 83122280
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol (CID 114950054) is 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol is CCNC(C)c1ccc(N(C)CC2(O)CCOCC2)cn1.
What is the InChIKey of 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
The InChIKey is AHLABGLNGQPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-17-13(2)15-6-5-14(11-18-15)19(3)12-16(20)7-9-21-10-8-16/h5-6,11,13,17,20H,4,7-10,12H2,1-3H3.
What are the key properties of 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol?
4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol has a molecular weight of 293.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114950054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).