1,3-bis(cyclohexylamino)propan-2-ol

C15H30N2O — CID 759952

IUPAC1,3-bis(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)CNC1CCCCC1
InChIInChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2
InChIKeyZOZIYWBBWFUQHH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.19
Rot. Bonds6

About 1,3-bis(cyclohexylamino)propan-2-ol

1,3-bis(cyclohexylamino)propan-2-ol (PubChem CID 759952) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,3-bis(cyclohexylamino)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(cyclohexylamino)propan-2-ol
PubChem CID759952
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1,3-bis(cyclohexylamino)propan-2-ol
SMILESOC(CNC1CCCCC1)CNC1CCCCC1
InChIInChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2
InChIKeyZOZIYWBBWFUQHH-UHFFFAOYSA-N
XLogP2.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclohexylamino)propan-2-ol?
The IUPAC name of 1,3-bis(cyclohexylamino)propan-2-ol (CID 759952) is 1,3-bis(cyclohexylamino)propan-2-ol.
What is the SMILES notation for 1,3-bis(cyclohexylamino)propan-2-ol?
The canonical SMILES for 1,3-bis(cyclohexylamino)propan-2-ol is OC(CNC1CCCCC1)CNC1CCCCC1.
What is the InChIKey of 1,3-bis(cyclohexylamino)propan-2-ol?
The InChIKey is ZOZIYWBBWFUQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c18-15(11-16-13-7-3-1-4-8-13)12-17-14-9-5-2-6-10-14/h13-18H,1-12H2.
What are the key properties of 1,3-bis(cyclohexylamino)propan-2-ol?
1,3-bis(cyclohexylamino)propan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclohexylamino)propan-2-ol is sourced from PubChem (CID 759952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).