3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one

C12H26N2O2 — CID 145438792

IUPAC3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one
SMILESCOCCN(CC(=O)C(C)(C)N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)14(7-8-16-6)9-10(15)12(4,5)13/h7-9,13H2,1-6H3
InChIKeyCLEHIFDSURLNNM-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds6

About 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one

3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one (PubChem CID 145438792) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one
PubChem CID145438792
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one
SMILESCOCCN(CC(=O)C(C)(C)N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)14(7-8-16-6)9-10(15)12(4,5)13/h7-9,13H2,1-6H3
InChIKeyCLEHIFDSURLNNM-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate
CID 69299084
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
CID 114989592
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 61266603
2-(2-methoxyethoxy)-2-methylpropane;N-(2-methoxyethyl)-N,2-dimethylpropan-2-amine
CID 159353195

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one (CID 145438792) is 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one is COCCN(CC(=O)C(C)(C)N)C(C)(C)C.
What is the InChIKey of 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one?
The InChIKey is CLEHIFDSURLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)14(7-8-16-6)9-10(15)12(4,5)13/h7-9,13H2,1-6H3.
What are the key properties of 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one?
3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one has a molecular weight of 230.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 145438792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).