N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

C10H18N2O — CID 116933940

IUPACN'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNCCCC(N)c1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9,12H,3-4,7,11H2,1-2H3
InChIKeyOHVRPOVCICDLEV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.59
Rot. Bonds5

About N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine

N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (PubChem CID 116933940) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
PubChem CID116933940
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCNCCCC(N)c1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9,12H,3-4,7,11H2,1-2H3
InChIKeyOHVRPOVCICDLEV-UHFFFAOYSA-N
XLogP1.59
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.59
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

(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The IUPAC name of N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine (CID 116933940) is N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is CNCCCC(N)c1ccc(C)o1.
What is the InChIKey of N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
The InChIKey is OHVRPOVCICDLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9,12H,3-4,7,11H2,1-2H3.
What are the key properties of N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine?
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine is sourced from PubChem (CID 116933940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).