1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol

C16H25N3O2 — CID 107151567

IUPAC1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
SMILESCn1ccnc1C(NCC(O)CC(C)(C)C)c1ccco1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)10-12(20)11-18-14(13-6-5-9-21-13)15-17-7-8-19(15)4/h5-9,12,14,18,20H,10-11H2,1-4H3
InChIKeyCDDNUDODJDGXSV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds6

About 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol

1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151567) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107151567
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
SMILESCn1ccnc1C(NCC(O)CC(C)(C)C)c1ccco1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)10-12(20)11-18-14(13-6-5-9-21-13)15-17-7-8-19(15)4/h5-9,12,14,18,20H,10-11H2,1-4H3
InChIKeyCDDNUDODJDGXSV-UHFFFAOYSA-N
XLogP2.49
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
N'-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758895
2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 43767473
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950

Frequently Asked Questions

What is the IUPAC name of 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol (CID 107151567) is 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol is Cn1ccnc1C(NCC(O)CC(C)(C)C)c1ccco1.
What is the InChIKey of 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is CDDNUDODJDGXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)10-12(20)11-18-14(13-6-5-9-21-13)15-17-7-8-19(15)4/h5-9,12,14,18,20H,10-11H2,1-4H3.
What are the key properties of 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol?
1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 291.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).