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

C13H23N3O — CID 66162549

IUPAC2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cncn1C1CC1
InChIInChI=1S/C13H23N3O/c1-10(2)5-11(8-17)15-7-13-6-14-9-16(13)12-3-4-12/h6,9-12,15,17H,3-5,7-8H2,1-2H3
InChIKeyIBUOTANAJXGCMG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.71
Rot. Bonds7

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

2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol (PubChem CID 66162549) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
PubChem CID66162549
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCc1cncn1C1CC1
InChIInChI=1S/C13H23N3O/c1-10(2)5-11(8-17)15-7-13-6-14-9-16(13)12-3-4-12/h6,9-12,15,17H,3-5,7-8H2,1-2H3
InChIKeyIBUOTANAJXGCMG-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol (CID 66162549) is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NCc1cncn1C1CC1.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol?
The InChIKey is IBUOTANAJXGCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)5-11(8-17)15-7-13-6-14-9-16(13)12-3-4-12/h6,9-12,15,17H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol?
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 66162549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).