3-methylpentan-3-amine;toluene

C13H23N — CID 174527967

IUPAC3-methylpentan-3-amine;toluene
SMILESCCC(C)(N)CC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H15N/c1-7-5-3-2-4-6-7;1-4-6(3,7)5-2/h2-6H,1H3;4-5,7H2,1-3H3
InChIKeyYRONKXKTQZLWAY-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.52
Rot. Bonds2

About 3-methylpentan-3-amine;toluene

3-methylpentan-3-amine;toluene (PubChem CID 174527967) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-methylpentan-3-amine;toluene.

Molecular Properties

Compound Name3-methylpentan-3-amine;toluene
PubChem CID174527967
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-methylpentan-3-amine;toluene
SMILESCCC(C)(N)CC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H15N/c1-7-5-3-2-4-6-7;1-4-6(3,7)5-2/h2-6H,1H3;4-5,7H2,1-3H3
InChIKeyYRONKXKTQZLWAY-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-amine;toluene?
The IUPAC name of 3-methylpentan-3-amine;toluene (CID 174527967) is 3-methylpentan-3-amine;toluene.
What is the SMILES notation for 3-methylpentan-3-amine;toluene?
The canonical SMILES for 3-methylpentan-3-amine;toluene is CCC(C)(N)CC.Cc1ccccc1.
What is the InChIKey of 3-methylpentan-3-amine;toluene?
The InChIKey is YRONKXKTQZLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H15N/c1-7-5-3-2-4-6-7;1-4-6(3,7)5-2/h2-6H,1H3;4-5,7H2,1-3H3.
What are the key properties of 3-methylpentan-3-amine;toluene?
3-methylpentan-3-amine;toluene has a molecular weight of 193.33 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-amine;toluene is sourced from PubChem (CID 174527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).