3-(furan-2-ylmethylamino)-4-methylpentan-1-ol

C11H19NO2 — CID 83818885

IUPAC3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1ccco1
InChIInChI=1S/C11H19NO2/c1-9(2)11(5-6-13)12-8-10-4-3-7-14-10/h3-4,7,9,11-13H,5-6,8H2,1-2H3
InChIKeyNUMFVJJKXHWEOA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.78
Rot. Bonds6

About 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol

3-(furan-2-ylmethylamino)-4-methylpentan-1-ol (PubChem CID 83818885) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
PubChem CID83818885
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1ccco1
InChIInChI=1S/C11H19NO2/c1-9(2)11(5-6-13)12-8-10-4-3-7-14-10/h3-4,7,9,11-13H,5-6,8H2,1-2H3
InChIKeyNUMFVJJKXHWEOA-UHFFFAOYSA-N
XLogP1.78
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol (CID 83818885) is 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol?
The InChIKey is NUMFVJJKXHWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)11(5-6-13)12-8-10-4-3-7-14-10/h3-4,7,9,11-13H,5-6,8H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol?
3-(furan-2-ylmethylamino)-4-methylpentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 83818885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).