[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol

C13H28N2O2 — CID 81213628

IUPAC[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
SMILESCC(C)NCC(C)(C)CN1CCOC(CO)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-9-13(3,4)10-15-5-6-17-12(7-15)8-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUKVILAAARCRCQZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.70
Rot. Bonds6

About [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol

[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol (PubChem CID 81213628) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
PubChem CID81213628
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
SMILESCC(C)NCC(C)(C)CN1CCOC(CO)C1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-9-13(3,4)10-15-5-6-17-12(7-15)8-16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUKVILAAARCRCQZ-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylmorpholin-4-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258034
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
N-[3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropyl]cyclopropanamine
CID 62256460
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
2,3-dimethyl-1-[2-(methylaminomethyl)morpholin-4-yl]butan-2-ol
CID 114496612
2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 62263437
3-(2-ethylmorpholin-4-yl)-2,2-dimethylpropan-1-amine
CID 62258556
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
2,2-dimethyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 62271256

Frequently Asked Questions

What is the IUPAC name of [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol (CID 81213628) is [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol is CC(C)NCC(C)(C)CN1CCOC(CO)C1.
What is the InChIKey of [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol?
The InChIKey is UKVILAAARCRCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-9-13(3,4)10-15-5-6-17-12(7-15)8-16/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol?
[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol has a molecular weight of 244.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81213628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).