4-(cyclohexylamino)butane-1,2-diol

C10H21NO2 — CID 13387447

IUPAC4-(cyclohexylamino)butane-1,2-diol
SMILESOCC(O)CCNC1CCCCC1
InChIInChI=1S/C10H21NO2/c12-8-10(13)6-7-11-9-4-2-1-3-5-9/h9-13H,1-8H2
InChIKeyWTDOIDFVJJFABA-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds5

About 4-(cyclohexylamino)butane-1,2-diol

4-(cyclohexylamino)butane-1,2-diol (PubChem CID 13387447) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)butane-1,2-diol.

Molecular Properties

Compound Name4-(cyclohexylamino)butane-1,2-diol
PubChem CID13387447
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(cyclohexylamino)butane-1,2-diol
SMILESOCC(O)CCNC1CCCCC1
InChIInChI=1S/C10H21NO2/c12-8-10(13)6-7-11-9-4-2-1-3-5-9/h9-13H,1-8H2
InChIKeyWTDOIDFVJJFABA-UHFFFAOYSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)butane-1,2-diol?
The IUPAC name of 4-(cyclohexylamino)butane-1,2-diol (CID 13387447) is 4-(cyclohexylamino)butane-1,2-diol.
What is the SMILES notation for 4-(cyclohexylamino)butane-1,2-diol?
The canonical SMILES for 4-(cyclohexylamino)butane-1,2-diol is OCC(O)CCNC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)butane-1,2-diol?
The InChIKey is WTDOIDFVJJFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c12-8-10(13)6-7-11-9-4-2-1-3-5-9/h9-13H,1-8H2.
What are the key properties of 4-(cyclohexylamino)butane-1,2-diol?
4-(cyclohexylamino)butane-1,2-diol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)butane-1,2-diol is sourced from PubChem (CID 13387447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).