2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol

C17H34N2O2 — CID 64790148

IUPAC2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol
SMILESCC1CN(CCCCC(C)(CO)NC2CC2)CC(C)(C)O1
InChIInChI=1S/C17H34N2O2/c1-14-11-19(12-16(2,3)21-14)10-6-5-9-17(4,13-20)18-15-7-8-15/h14-15,18,20H,5-13H2,1-4H3
InChIKeySPKFUMJUTHKSPA-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.16
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol

2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol (PubChem CID 64790148) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol
PubChem CID64790148
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol
SMILESCC1CN(CCCCC(C)(CO)NC2CC2)CC(C)(C)O1
InChIInChI=1S/C17H34N2O2/c1-14-11-19(12-16(2,3)21-14)10-6-5-9-17(4,13-20)18-15-7-8-15/h14-15,18,20H,5-13H2,1-4H3
InChIKeySPKFUMJUTHKSPA-UHFFFAOYSA-N
XLogP2.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 106808951
2-(cyclopropylamino)-2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66369677
2-(cyclopropylamino)-5-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64798617
2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-amine
CID 65254263
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
N-(2-methylpropyl)-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-amine
CID 62435981
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylhexanoic acid
CID 104960225
6-(2,2,6-trimethylmorpholin-4-yl)hexan-3-ol
CID 106802367
2-(cyclopropylamino)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64790152
2-(cyclopropylamino)-2-methyl-6-(2-methylpiperidin-1-yl)hexan-1-ol
CID 64796277
(6S)-2,2,6-trimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 95236081
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)pentan-1-ol
CID 104961381

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol (CID 64790148) is 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol is CC1CN(CCCCC(C)(CO)NC2CC2)CC(C)(C)O1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol?
The InChIKey is SPKFUMJUTHKSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14-11-19(12-16(2,3)21-14)10-6-5-9-17(4,13-20)18-15-7-8-15/h14-15,18,20H,5-13H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-(2,2,6-trimethylmorpholin-4-yl)hexan-1-ol is sourced from PubChem (CID 64790148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).