5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C14H31N3O2 — CID 63698579

IUPAC5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CCCN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C14H31N3O2/c1-12(2)15-14(3,13(18)19)8-7-9-17(6)11-10-16(4)5/h12,15H,7-11H2,1-6H3,(H,18,19)
InChIKeyDXQHMARPXAJLJQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.10
Rot. Bonds10

About 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 63698579) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID63698579
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CCCN(C)CCN(C)C)C(=O)O
InChIInChI=1S/C14H31N3O2/c1-12(2)15-14(3,13(18)19)8-7-9-17(6)11-10-16(4)5/h12,15H,7-11H2,1-6H3,(H,18,19)
InChIKeyDXQHMARPXAJLJQ-UHFFFAOYSA-N
XLogP1.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[methyl(2-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 63964909
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 63698755
3-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102996597
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64792219
2-amino-6-[2-(dimethylamino)ethyl-methylamino]-2-methylhexanoic acid
CID 63699969
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
2-methyl-5-(2-methylsulfonylethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 55246988
5-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 66138640
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 63698579) is 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(C)(CCCN(C)CCN(C)C)C(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is DXQHMARPXAJLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-12(2)15-14(3,13(18)19)8-7-9-17(6)11-10-16(4)5/h12,15H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 273.42 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 63698579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).