5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid

C16H33N3O2 — CID 106806525

IUPAC5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN(C)CC1(N(C)C)CCC1)(NC)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-6-16(17-2,14(20)21)11-8-12-19(5)13-15(18(3)4)9-7-10-15/h17H,6-13H2,1-5H3,(H,20,21)
InChIKeyNQATUACFFILMEQ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.64
Rot. Bonds10

About 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid

5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106806525) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106806525
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN(C)CC1(N(C)C)CCC1)(NC)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-6-16(17-2,14(20)21)11-8-12-19(5)13-15(18(3)4)9-7-10-15/h17H,6-13H2,1-5H3,(H,20,21)
InChIKeyNQATUACFFILMEQ-UHFFFAOYSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856
2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
CID 106805855
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806249
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
CID 106805906
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylhexanenitrile
CID 105416604
2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
CID 105416902
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid (CID 106806525) is 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCN(C)CC1(N(C)C)CCC1)(NC)C(=O)O.
What is the InChIKey of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is NQATUACFFILMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-16(17-2,14(20)21)11-8-12-19(5)13-15(18(3)4)9-7-10-15/h17H,6-13H2,1-5H3,(H,20,21).
What are the key properties of 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid?
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 299.46 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).