3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol

C15H31NO2 — CID 106114365

IUPAC3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCOC(C)(CC)C1
InChIInChI=1S/C15H31NO2/c1-4-6-13(7-9-17)12-16-14-8-10-18-15(3,5-2)11-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyODCCHBCANAZMJO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.72
Rot. Bonds8

About 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol

3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106114365) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
PubChem CID106114365
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCOC(C)(CC)C1
InChIInChI=1S/C15H31NO2/c1-4-6-13(7-9-17)12-16-14-8-10-18-15(3,5-2)11-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyODCCHBCANAZMJO-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
2-[(2-ethyl-2-methyloxan-4-yl)amino]pentanoic acid
CID 65055607
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
1-(2-ethyl-2-methyloxan-4-yl)butan-1-ol
CID 83050928
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
[2-[(2-ethyl-2-methyloxan-4-yl)amino]cyclopentyl]methanol
CID 114178470
tert-butyl N-[1-cyclopropyl-2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]carbamate
CID 107243982

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol (CID 106114365) is 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CCOC(C)(CC)C1.
What is the InChIKey of 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is ODCCHBCANAZMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-6-13(7-9-17)12-16-14-8-10-18-15(3,5-2)11-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol?
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).