3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol

C10H22N2O3 — CID 114357161

IUPAC3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCCOCC1
InChIInChI=1S/C10H22N2O3/c1-14-8-9(11)10(7-13)12-3-2-5-15-6-4-12/h9-10,13H,2-8,11H2,1H3
InChIKeyHRCHJDBUASNOFV-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.96
Rot. Bonds5

About 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol

3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol (PubChem CID 114357161) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
PubChem CID114357161
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol
SMILESCOCC(N)C(CO)N1CCCOCC1
InChIInChI=1S/C10H22N2O3/c1-14-8-9(11)10(7-13)12-3-2-5-15-6-4-12/h9-10,13H,2-8,11H2,1H3
InChIKeyHRCHJDBUASNOFV-UHFFFAOYSA-N
XLogP-0.96
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
3-amino-2-morpholin-4-ylpentan-1-ol
CID 104840278
3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
CID 103226384
3-amino-4-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 114357377
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
CID 114357613
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-amino-4-methoxybutan-1-ol
CID 114356735
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 114356718
3-(1,4-oxazepan-4-yl)butanethioamide
CID 62988867
3-amino-5-methyl-2-(2-methyl-1,4-oxazepan-4-yl)hexan-1-ol
CID 114357158
3-amino-2-[3-(methoxymethyl)piperidin-1-yl]hexan-1-ol
CID 106586650

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol (CID 114357161) is 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol is COCC(N)C(CO)N1CCCOCC1.
What is the InChIKey of 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol?
The InChIKey is HRCHJDBUASNOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-14-8-9(11)10(7-13)12-3-2-5-15-6-4-12/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol?
3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol has a molecular weight of 218.30 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(1,4-oxazepan-4-yl)butan-1-ol is sourced from PubChem (CID 114357161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).