N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine

C14H25NO — CID 115876307

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1cc(C)oc1C)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-13(14(4,5)6)15-9-12-8-10(2)16-11(12)3/h8,13,15H,7,9H2,1-6H3
InChIKeyCQUFFBLNPYNWQU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.81
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine

N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine (PubChem CID 115876307) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
PubChem CID115876307
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1cc(C)oc1C)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-13(14(4,5)6)15-9-12-8-10(2)16-11(12)3/h8,13,15H,7,9H2,1-6H3
InChIKeyCQUFFBLNPYNWQU-UHFFFAOYSA-N
XLogP3.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115875875
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
CID 103992303
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853
1-N-[(2,5-dimethylfuran-3-yl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine
CID 115876158

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine (CID 115876307) is N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine is CCC(NCc1cc(C)oc1C)C(C)(C)C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine?
The InChIKey is CQUFFBLNPYNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-13(14(4,5)6)15-9-12-8-10(2)16-11(12)3/h8,13,15H,7,9H2,1-6H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 115876307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).