1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol

C13H23NO2 — CID 115763817

IUPAC1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNCc1ccco1
InChIInChI=1S/C13H23NO2/c1-10(2)12(15)13(3,4)9-14-8-11-6-5-7-16-11/h5-7,10,12,14-15H,8-9H2,1-4H3
InChIKeyDMLCYIYWHPFAFM-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds6

About 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol

1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol (PubChem CID 115763817) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
PubChem CID115763817
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
SMILESCC(C)C(O)C(C)(C)CNCc1ccco1
InChIInChI=1S/C13H23NO2/c1-10(2)12(15)13(3,4)9-14-8-11-6-5-7-16-11/h5-7,10,12,14-15H,8-9H2,1-4H3
InChIKeyDMLCYIYWHPFAFM-UHFFFAOYSA-N
XLogP2.41
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 115656634
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
2-bromo-6-[[(3-hydroxy-2,2,4-trimethylpentyl)amino]methyl]phenol
CID 109380074
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 115432789

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol?
The IUPAC name of 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol (CID 115763817) is 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol.
What is the SMILES notation for 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol?
The canonical SMILES for 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol is CC(C)C(O)C(C)(C)CNCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol?
The InChIKey is DMLCYIYWHPFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)12(15)13(3,4)9-14-8-11-6-5-7-16-11/h5-7,10,12,14-15H,8-9H2,1-4H3.
What are the key properties of 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol?
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol is sourced from PubChem (CID 115763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).