5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine

C13H24N2O — CID 82344532

IUPAC5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(N)o1
InChIInChI=1S/C13H24N2O/c1-12(2,3)9-13(4,5)15-8-10-6-7-11(14)16-10/h6-7,15H,8-9,14H2,1-5H3
InChIKeyTYXKAJRAPKCOTQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.17
Rot. Bonds4

About 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine

5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine (PubChem CID 82344532) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine.

Molecular Properties

Compound Name5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine
PubChem CID82344532
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(N)o1
InChIInChI=1S/C13H24N2O/c1-12(2,3)9-13(4,5)15-8-10-6-7-11(14)16-10/h6-7,15H,8-9,14H2,1-5H3
InChIKeyTYXKAJRAPKCOTQ-UHFFFAOYSA-N
XLogP3.17
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine?
The IUPAC name of 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine (CID 82344532) is 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine.
What is the SMILES notation for 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine?
The canonical SMILES for 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine is CC(C)(C)CC(C)(C)NCc1ccc(N)o1.
What is the InChIKey of 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine?
The InChIKey is TYXKAJRAPKCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)9-13(4,5)15-8-10-6-7-11(14)16-10/h6-7,15H,8-9,14H2,1-5H3.
What are the key properties of 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine?
5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,4-trimethylpentan-2-ylamino)methyl]furan-2-amine is sourced from PubChem (CID 82344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).