3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid

C12H26N2O2 — CID 82330415

IUPAC3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid
SMILESCC(CN(CCCN(C)C)C(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13(4)5)9-11(3)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeySKEMSUDJJUAFFL-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.37
Rot. Bonds8

About 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid

3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid (PubChem CID 82330415) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid
PubChem CID82330415
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid
SMILESCC(CN(CCCN(C)C)C(C)C)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13(4)5)9-11(3)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16)
InChIKeySKEMSUDJJUAFFL-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-[3-(dimethylamino)propyl]amino]-2-methylpropanoic acid
CID 82330442
2-[3-(dimethylamino)propyl-ethylamino]propanoic acid
CID 102994663
3-[3-(dimethylamino)propylsulfanyl]-2-methylpropanoic acid
CID 114524661
3-[3-(dimethylamino)propyl-(3-propan-2-yloxypropyl)amino]-2-methylpropanoic acid
CID 82330438
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
2-[bis[3-(dimethylamino)propyl]sulfamoyl]propanoic acid
CID 61457737
3-[butyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329356
3-[N-[3-(dimethylamino)propyl]-2-ethylanilino]-2-methylpropanoic acid
CID 82320010
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
3-[3-(diethylamino)propyl-(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82329011
[bis[3-(dimethylamino)propyl]amino]-propan-2-ylcarbamic acid
CID 87591226
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid (CID 82330415) is 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid is CC(CN(CCCN(C)C)C(C)C)C(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid?
The InChIKey is SKEMSUDJJUAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)14(8-6-7-13(4)5)9-11(3)12(15)16/h10-11H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid?
3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-propan-2-ylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82330415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).