4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol

C12H21NO2 — CID 111468077

IUPAC4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
SMILESCc1ccoc1CNCCC(O)C(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)11(14)4-6-13-8-12-10(3)5-7-15-12/h5,7,9,11,13-14H,4,6,8H2,1-3H3
InChIKeyMNPJKSKGVPHJOR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.08
Rot. Bonds6

About 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol

4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol (PubChem CID 111468077) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
PubChem CID111468077
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
SMILESCc1ccoc1CNCCC(O)C(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)11(14)4-6-13-8-12-10(3)5-7-15-12/h5,7,9,11,13-14H,4,6,8H2,1-3H3
InChIKeyMNPJKSKGVPHJOR-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-methylpentan-3-ol
CID 111468109
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
5,5-dimethyl-N-[(3-methylfuran-2-yl)methyl]hexan-1-amine
CID 115653275
N-ethyl-N-[3-[(3-methylfuran-2-yl)methylamino]propyl]methanesulfonamide
CID 115652579
N-tert-butyl-3-[(3-methylfuran-2-yl)methylamino]propanamide
CID 113243125
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol (CID 111468077) is 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol is Cc1ccoc1CNCCC(O)C(C)C.
What is the InChIKey of 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol?
The InChIKey is MNPJKSKGVPHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11(14)4-6-13-8-12-10(3)5-7-15-12/h5,7,9,11,13-14H,4,6,8H2,1-3H3.
What are the key properties of 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol?
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol has a molecular weight of 211.30 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 111468077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).