1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

C17H34N2O2 — CID 111462765

IUPAC1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CCCC(C)(C)CC2)CC(C)O1
InChIInChI=1S/C17H34N2O2/c1-14-10-19(11-15(2)21-14)13-16(20)12-18-8-5-6-17(3,4)7-9-18/h14-16,20H,5-13H2,1-4H3
InChIKeyPTUNVWQEFWJQEA-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.97
Rot. Bonds4

About 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol

1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (PubChem CID 111462765) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
PubChem CID111462765
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CCCC(C)(C)CC2)CC(C)O1
InChIInChI=1S/C17H34N2O2/c1-14-10-19(11-15(2)21-14)13-16(20)12-18-8-5-6-17(3,4)7-9-18/h14-16,20H,5-13H2,1-4H3
InChIKeyPTUNVWQEFWJQEA-UHFFFAOYSA-N
XLogP1.97
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-(4,4-dimethylazepan-1-yl)-3-methoxypropan-2-ol
CID 65282402
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 111512146
1-[1-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 95582475
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The IUPAC name of 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol (CID 111462765) is 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The canonical SMILES for 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is CC1CN(CC(O)CN2CCCC(C)(C)CC2)CC(C)O1.
What is the InChIKey of 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
The InChIKey is PTUNVWQEFWJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14-10-19(11-15(2)21-14)13-16(20)12-18-8-5-6-17(3,4)7-9-18/h14-16,20H,5-13H2,1-4H3.
What are the key properties of 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol?
1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol has a molecular weight of 298.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 111462765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).