(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol

C12H21NO2 — CID 97051651

IUPAC(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
SMILESCc1ccc([C@H](C)N[C@H](C)CCCO)o1
InChIInChI=1S/C12H21NO2/c1-9(5-4-8-14)13-11(3)12-7-6-10(2)15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyZOVFWGHXUCZKFC-KOLCDFICSA-N
MW211.30 g/mol
LogP2.40
Rot. Bonds6

About (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol

(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 97051651) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
PubChem CID97051651
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
SMILESCc1ccc([C@H](C)N[C@H](C)CCCO)o1
InChIInChI=1S/C12H21NO2/c1-9(5-4-8-14)13-11(3)12-7-6-10(2)15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyZOVFWGHXUCZKFC-KOLCDFICSA-N
XLogP2.40
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol with MolForge

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Related Compounds

(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
CID 55150852
(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 99849214
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol (CID 97051651) is (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol is Cc1ccc([C@H](C)N[C@H](C)CCCO)o1.
What is the InChIKey of (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is ZOVFWGHXUCZKFC-KOLCDFICSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(5-4-8-14)13-11(3)12-7-6-10(2)15-12/h6-7,9,11,13-14H,4-5,8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol?
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 211.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).