(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol

C11H19N3O — CID 104868868

IUPAC(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cncn1C1CC1
InChIInChI=1S/C11H19N3O/c1-2-9(7-15)13-6-11-5-12-8-14(11)10-3-4-10/h5,8-10,13,15H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyYSPRIFRBQRWCEI-SECBINFHSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds6

About (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol

(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol (PubChem CID 104868868) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
PubChem CID104868868
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cncn1C1CC1
InChIInChI=1S/C11H19N3O/c1-2-9(7-15)13-6-11-5-12-8-14(11)10-3-4-10/h5,8-10,13,15H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyYSPRIFRBQRWCEI-SECBINFHSA-N
XLogP1.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol (CID 104868868) is (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cncn1C1CC1.
What is the InChIKey of (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol?
The InChIKey is YSPRIFRBQRWCEI-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-9(7-15)13-6-11-5-12-8-14(11)10-3-4-10/h5,8-10,13,15H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol?
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 104868868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).