5-(furan-2-ylmethylamino)-2-methylpentan-1-ol

C11H19NO2 — CID 103859513

IUPAC5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-10(9-13)4-2-6-12-8-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyTWCHNFFBYFXEOT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds7

About 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol

5-(furan-2-ylmethylamino)-2-methylpentan-1-ol (PubChem CID 103859513) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
PubChem CID103859513
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1ccco1
InChIInChI=1S/C11H19NO2/c1-10(9-13)4-2-6-12-8-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyTWCHNFFBYFXEOT-UHFFFAOYSA-N
XLogP1.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
5-[(5-iodofuran-2-yl)methylamino]-2-methylpentan-1-ol
CID 106157788
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pentan-1-ol
CID 103859564
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol (CID 103859513) is 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol is CC(CO)CCCNCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol?
The InChIKey is TWCHNFFBYFXEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(9-13)4-2-6-12-8-11-5-3-7-14-11/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3.
What are the key properties of 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol?
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 103859513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).