4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol

C12H23NO2 — CID 165464576

IUPAC4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol
SMILESOCC(CCNC1CC1)C1CCCOC1
InChIInChI=1S/C12H23NO2/c14-8-10(5-6-13-12-3-4-12)11-2-1-7-15-9-11/h10-14H,1-9H2
InChIKeyHOVWFTZWQBERRR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds6

About 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol

4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol (PubChem CID 165464576) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol
PubChem CID165464576
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol
SMILESOCC(CCNC1CC1)C1CCCOC1
InChIInChI=1S/C12H23NO2/c14-8-10(5-6-13-12-3-4-12)11-2-1-7-15-9-11/h10-14H,1-9H2
InChIKeyHOVWFTZWQBERRR-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol?
The IUPAC name of 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol (CID 165464576) is 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol.
What is the SMILES notation for 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol?
The canonical SMILES for 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol is OCC(CCNC1CC1)C1CCCOC1.
What is the InChIKey of 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol?
The InChIKey is HOVWFTZWQBERRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-8-10(5-6-13-12-3-4-12)11-2-1-7-15-9-11/h10-14H,1-9H2.
What are the key properties of 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol?
4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-(oxan-3-yl)butan-1-ol is sourced from PubChem (CID 165464576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).