(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol

C14H25N3O — CID 18634261

IUPAC(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1C[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-17-8-7-16-14(17)10-13(18)12(15)9-11-5-3-2-4-6-11/h7-8,11-13,18H,2-6,9-10,15H2,1H3/t12-,13+/m0/s1
InChIKeyXOXSWNZQQOUIRN-QWHCGFSZSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds5

About (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol

(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 18634261) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID18634261
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1C[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H25N3O/c1-17-8-7-16-14(17)10-13(18)12(15)9-11-5-3-2-4-6-11/h7-8,11-13,18H,2-6,9-10,15H2,1H3/t12-,13+/m0/s1
InChIKeyXOXSWNZQQOUIRN-QWHCGFSZSA-N
XLogP1.62
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol (CID 18634261) is (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1C[C@@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is XOXSWNZQQOUIRN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17-8-7-16-14(17)10-13(18)12(15)9-11-5-3-2-4-6-11/h7-8,11-13,18H,2-6,9-10,15H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol?
(2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 18634261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).