(4R)-2,4-dimethylhexan-3-amine

C8H19N — CID 59252919

IUPAC(4R)-2,4-dimethylhexan-3-amine
SMILESCC[C@@H](C)C(N)C(C)C
InChIInChI=1S/C8H19N/c1-5-7(4)8(9)6(2)3/h6-8H,5,9H2,1-4H3/t7-,8?/m1/s1
InChIKeyIQQKAZBCYSDOLA-GVHYBUMESA-N
MW129.25 g/mol
LogP2.02
Rot. Bonds3

About (4R)-2,4-dimethylhexan-3-amine

(4R)-2,4-dimethylhexan-3-amine (PubChem CID 59252919) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (4R)-2,4-dimethylhexan-3-amine.

Molecular Properties

Compound Name(4R)-2,4-dimethylhexan-3-amine
PubChem CID59252919
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(4R)-2,4-dimethylhexan-3-amine
SMILESCC[C@@H](C)C(N)C(C)C
InChIInChI=1S/C8H19N/c1-5-7(4)8(9)6(2)3/h6-8H,5,9H2,1-4H3/t7-,8?/m1/s1
InChIKeyIQQKAZBCYSDOLA-GVHYBUMESA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethylhexan-3-amine?
The IUPAC name of (4R)-2,4-dimethylhexan-3-amine (CID 59252919) is (4R)-2,4-dimethylhexan-3-amine.
What is the SMILES notation for (4R)-2,4-dimethylhexan-3-amine?
The canonical SMILES for (4R)-2,4-dimethylhexan-3-amine is CC[C@@H](C)C(N)C(C)C.
What is the InChIKey of (4R)-2,4-dimethylhexan-3-amine?
The InChIKey is IQQKAZBCYSDOLA-GVHYBUMESA-N. The full InChI is InChI=1S/C8H19N/c1-5-7(4)8(9)6(2)3/h6-8H,5,9H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (4R)-2,4-dimethylhexan-3-amine?
(4R)-2,4-dimethylhexan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethylhexan-3-amine is sourced from PubChem (CID 59252919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).