3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol

C13H28N2O2 — CID 114357158

IUPAC3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCCOC(C)C1
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(14)13(9-16)15-5-4-6-17-11(3)8-15/h10-13,16H,4-9,14H2,1-3H3
InChIKeyUOKIPKYHIDJHLD-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.83
Rot. Bonds5

About 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol

3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol (PubChem CID 114357158) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
PubChem CID114357158
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
SMILESCC(C)CC(N)C(CO)N1CCCOC(C)C1
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(14)13(9-16)15-5-4-6-17-11(3)8-15/h10-13,16H,4-9,14H2,1-3H3
InChIKeyUOKIPKYHIDJHLD-UHFFFAOYSA-N
XLogP0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3,4-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
CID 114357448
3-amino-2-(3-ethyl-4-methylpiperazin-1-yl)-5-methylhexan-1-ol
CID 114357274
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-5-methylhexan-1-ol
CID 114357560
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
2-(2-methyl-1,4-oxazepan-4-yl)pentan-3-one
CID 64866930
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 64708050
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
(2S)-3-methyl-1-[(2S)-2-methylmorpholin-4-yl]butan-2-amine
CID 28597475
3-amino-2-(3,3-dimethylpyrrolidin-1-yl)-5-methylhexan-1-ol
CID 114357497
3-(2-methyl-1,4-oxazepan-4-yl)butanenitrile
CID 62988698
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
2-methyl-4-propan-2-ylmorpholine
CID 176666634

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol (CID 114357158) is 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol is CC(C)CC(N)C(CO)N1CCCOC(C)C1.
What is the InChIKey of 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol?
The InChIKey is UOKIPKYHIDJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)7-12(14)13(9-16)15-5-4-6-17-11(3)8-15/h10-13,16H,4-9,14H2,1-3H3.
What are the key properties of 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol?
3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol is sourced from PubChem (CID 114357158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).