[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

C14H28N2O2 — CID 103061043

IUPAC[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC1CCOCC1CN1CCC(C)C1CO
InChIInChI=1S/C14H28N2O2/c1-3-15-13-5-7-18-10-12(13)8-16-6-4-11(2)14(16)9-17/h11-15,17H,3-10H2,1-2H3
InChIKeyCJHZQWYUVRQLKG-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.70
Rot. Bonds5

About [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 103061043) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID103061043
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNC1CCOCC1CN1CCC(C)C1CO
InChIInChI=1S/C14H28N2O2/c1-3-15-13-5-7-18-10-12(13)8-16-6-4-11(2)14(16)9-17/h11-15,17H,3-10H2,1-2H3
InChIKeyCJHZQWYUVRQLKG-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061041
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
CID 103059310
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
CID 103059901
[3-methyl-1-[[2-(methylamino)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 102789519
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N-ethyl-3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-amine
CID 103059767
N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060475
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 107395161
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (CID 103061043) is [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is CCNC1CCOCC1CN1CCC(C)C1CO.
What is the InChIKey of [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CJHZQWYUVRQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-15-13-5-7-18-10-12(13)8-16-6-4-11(2)14(16)9-17/h11-15,17H,3-10H2,1-2H3.
What are the key properties of [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 103061043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).