ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate

C16H32N2O3 — CID 64710254

IUPACethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(CC)CC1CCCO1)NC
InChIInChI=1S/C16H32N2O3/c1-6-18(12-14-9-8-10-21-14)13(3)11-16(4,17-5)15(19)20-7-2/h13-14,17H,6-12H2,1-5H3
InChIKeyHYQHOKSQZQJECR-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds9

About ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate

ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate (PubChem CID 64710254) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
PubChem CID64710254
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(CC)CC1CCCO1)NC
InChIInChI=1S/C16H32N2O3/c1-6-18(12-14-9-8-10-21-14)13(3)11-16(4,17-5)15(19)20-7-2/h13-14,17H,6-12H2,1-5H3
InChIKeyHYQHOKSQZQJECR-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 66432481
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-methyl-4-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)pentanamide
CID 64706325
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate (CID 64710254) is ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)N(CC)CC1CCCO1)NC.
What is the InChIKey of ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is HYQHOKSQZQJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-18(12-14-9-8-10-21-14)13(3)11-16(4,17-5)15(19)20-7-2/h13-14,17H,6-12H2,1-5H3.
What are the key properties of ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate?
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64710254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).