4-(cyclobutylamino)butan-2-ol

C8H17NO — CID 64913648

IUPAC4-(cyclobutylamino)butan-2-ol
SMILESCC(O)CCNC1CCC1
InChIInChI=1S/C8H17NO/c1-7(10)5-6-9-8-3-2-4-8/h7-10H,2-6H2,1H3
InChIKeySHYYHWDWRSCICZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds4

About 4-(cyclobutylamino)butan-2-ol

4-(cyclobutylamino)butan-2-ol (PubChem CID 64913648) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-(cyclobutylamino)butan-2-ol.

Molecular Properties

Compound Name4-(cyclobutylamino)butan-2-ol
PubChem CID64913648
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-(cyclobutylamino)butan-2-ol
SMILESCC(O)CCNC1CCC1
InChIInChI=1S/C8H17NO/c1-7(10)5-6-9-8-3-2-4-8/h7-10H,2-6H2,1H3
InChIKeySHYYHWDWRSCICZ-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)butan-2-ol?
The IUPAC name of 4-(cyclobutylamino)butan-2-ol (CID 64913648) is 4-(cyclobutylamino)butan-2-ol.
What is the SMILES notation for 4-(cyclobutylamino)butan-2-ol?
The canonical SMILES for 4-(cyclobutylamino)butan-2-ol is CC(O)CCNC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)butan-2-ol?
The InChIKey is SHYYHWDWRSCICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)5-6-9-8-3-2-4-8/h7-10H,2-6H2,1H3.
What are the key properties of 4-(cyclobutylamino)butan-2-ol?
4-(cyclobutylamino)butan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)butan-2-ol is sourced from PubChem (CID 64913648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).