4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C14H27N3O — CID 64809605

IUPAC4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ncn(C(C)CC(C)(CO)NC(C)C)c1C
InChIInChI=1S/C14H27N3O/c1-10(2)16-14(6,8-18)7-11(3)17-9-15-12(4)13(17)5/h9-11,16,18H,7-8H2,1-6H3
InChIKeyRCNVPZRYQCMYSX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.20
Rot. Bonds6

About 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809605) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809605
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCc1ncn(C(C)CC(C)(CO)NC(C)C)c1C
InChIInChI=1S/C14H27N3O/c1-10(2)16-14(6,8-18)7-11(3)17-9-15-12(4)13(17)5/h9-11,16,18H,7-8H2,1-6H3
InChIKeyRCNVPZRYQCMYSX-UHFFFAOYSA-N
XLogP2.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64809605) is 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is Cc1ncn(C(C)CC(C)(CO)NC(C)C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is RCNVPZRYQCMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(2)16-14(6,8-18)7-11(3)17-9-15-12(4)13(17)5/h9-11,16,18H,7-8H2,1-6H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).