2-(1-amino-3-methylbutan-2-yl)oxyethanol

C7H17NO2 — CID 103376818

IUPAC2-(1-amino-3-methylbutan-2-yl)oxyethanol
SMILESCC(C)C(CN)OCCO
InChIInChI=1S/C7H17NO2/c1-6(2)7(5-8)10-4-3-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyJNMWLQKVVUGUFJ-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.02
Rot. Bonds5

About 2-(1-amino-3-methylbutan-2-yl)oxyethanol

2-(1-amino-3-methylbutan-2-yl)oxyethanol (PubChem CID 103376818) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutan-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(1-amino-3-methylbutan-2-yl)oxyethanol
PubChem CID103376818
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-(1-amino-3-methylbutan-2-yl)oxyethanol
SMILESCC(C)C(CN)OCCO
InChIInChI=1S/C7H17NO2/c1-6(2)7(5-8)10-4-3-9/h6-7,9H,3-5,8H2,1-2H3
InChIKeyJNMWLQKVVUGUFJ-UHFFFAOYSA-N
XLogP-0.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19012483
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CID 137971682
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CID 20116620
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CID 87463093
CID 87463093
CID 103376721
CID 103376721
CID 19424835
CID 19424835
CID 20115865
CID 20115865
CID 21864335
CID 21864335
CID 29000822
CID 29000822
CID 29000826
CID 29000826
CID 29000869
CID 29000869

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutan-2-yl)oxyethanol?
The IUPAC name of 2-(1-amino-3-methylbutan-2-yl)oxyethanol (CID 103376818) is 2-(1-amino-3-methylbutan-2-yl)oxyethanol.
What is the SMILES notation for 2-(1-amino-3-methylbutan-2-yl)oxyethanol?
The canonical SMILES for 2-(1-amino-3-methylbutan-2-yl)oxyethanol is CC(C)C(CN)OCCO.
What is the InChIKey of 2-(1-amino-3-methylbutan-2-yl)oxyethanol?
The InChIKey is JNMWLQKVVUGUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)7(5-8)10-4-3-9/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-(1-amino-3-methylbutan-2-yl)oxyethanol?
2-(1-amino-3-methylbutan-2-yl)oxyethanol has a molecular weight of 147.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutan-2-yl)oxyethanol is sourced from PubChem (CID 103376818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).