6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol

C18H38N2O — CID 64826441

IUPAC6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-17(2,3)16-9-8-13-20(14-10-16)12-7-6-11-18(4,15-21)19-5/h16,19,21H,6-15H2,1-5H3
InChIKeyQQANPIRGMWLZKO-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.28
Rot. Bonds7

About 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol

6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol (PubChem CID 64826441) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
PubChem CID64826441
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-17(2,3)16-9-8-13-20(14-10-16)12-7-6-11-18(4,15-21)19-5/h16,19,21H,6-15H2,1-5H3
InChIKeyQQANPIRGMWLZKO-UHFFFAOYSA-N
XLogP3.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
CID 79170911
2-methyl-2-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66372029
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787040
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanenitrile
CID 65257423
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
CID 79170912
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The IUPAC name of 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol (CID 64826441) is 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol.
What is the SMILES notation for 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The canonical SMILES for 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol is CNC(C)(CO)CCCCN1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
The InChIKey is QQANPIRGMWLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-17(2,3)16-9-8-13-20(14-10-16)12-7-6-11-18(4,15-21)19-5/h16,19,21H,6-15H2,1-5H3.
What are the key properties of 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol?
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol has a molecular weight of 298.52 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol is sourced from PubChem (CID 64826441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).