(2R,4R)-4-(cyclohexylamino)pentan-2-ol

C11H23NO — CID 10375161

IUPAC(2R,4R)-4-(cyclohexylamino)pentan-2-ol
SMILESC[C@H](C[C@@H](C)O)NC1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPLVRBUMZMNCSQC-NXEZZACHSA-N
MW185.31 g/mol
LogP2.07
Rot. Bonds4

About (2R,4R)-4-(cyclohexylamino)pentan-2-ol

(2R,4R)-4-(cyclohexylamino)pentan-2-ol (PubChem CID 10375161) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R,4R)-4-(cyclohexylamino)pentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-(cyclohexylamino)pentan-2-ol
PubChem CID10375161
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R,4R)-4-(cyclohexylamino)pentan-2-ol
SMILESC[C@H](C[C@@H](C)O)NC1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPLVRBUMZMNCSQC-NXEZZACHSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(cyclohexylamino)pentan-2-ol?
The IUPAC name of (2R,4R)-4-(cyclohexylamino)pentan-2-ol (CID 10375161) is (2R,4R)-4-(cyclohexylamino)pentan-2-ol.
What is the SMILES notation for (2R,4R)-4-(cyclohexylamino)pentan-2-ol?
The canonical SMILES for (2R,4R)-4-(cyclohexylamino)pentan-2-ol is C[C@H](C[C@@H](C)O)NC1CCCCC1.
What is the InChIKey of (2R,4R)-4-(cyclohexylamino)pentan-2-ol?
The InChIKey is PLVRBUMZMNCSQC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h9-13H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-(cyclohexylamino)pentan-2-ol?
(2R,4R)-4-(cyclohexylamino)pentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(cyclohexylamino)pentan-2-ol is sourced from PubChem (CID 10375161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).