2-(hexan-2-ylamino)-2-propylpentanoic acid

C14H29NO2 — CID 114999896

IUPAC2-(hexan-2-ylamino)-2-propylpentanoic acid
SMILESCCCCC(C)NC(CCC)(CCC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-5-8-9-12(4)15-14(10-6-2,11-7-3)13(16)17/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyCPLFFGGGHGDSFV-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.58
Rot. Bonds10

About 2-(hexan-2-ylamino)-2-propylpentanoic acid

2-(hexan-2-ylamino)-2-propylpentanoic acid (PubChem CID 114999896) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(hexan-2-ylamino)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(hexan-2-ylamino)-2-propylpentanoic acid
PubChem CID114999896
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(hexan-2-ylamino)-2-propylpentanoic acid
SMILESCCCCC(C)NC(CCC)(CCC)C(=O)O
InChIInChI=1S/C14H29NO2/c1-5-8-9-12(4)15-14(10-6-2,11-7-3)13(16)17/h12,15H,5-11H2,1-4H3,(H,16,17)
InChIKeyCPLFFGGGHGDSFV-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-ylamino)-2-propylpentanoic acid?
The IUPAC name of 2-(hexan-2-ylamino)-2-propylpentanoic acid (CID 114999896) is 2-(hexan-2-ylamino)-2-propylpentanoic acid.
What is the SMILES notation for 2-(hexan-2-ylamino)-2-propylpentanoic acid?
The canonical SMILES for 2-(hexan-2-ylamino)-2-propylpentanoic acid is CCCCC(C)NC(CCC)(CCC)C(=O)O.
What is the InChIKey of 2-(hexan-2-ylamino)-2-propylpentanoic acid?
The InChIKey is CPLFFGGGHGDSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-9-12(4)15-14(10-6-2,11-7-3)13(16)17/h12,15H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-(hexan-2-ylamino)-2-propylpentanoic acid?
2-(hexan-2-ylamino)-2-propylpentanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-ylamino)-2-propylpentanoic acid is sourced from PubChem (CID 114999896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).