methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate

C16H34N2O3 — CID 81062894

IUPACmethyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCN(C)CCOC(C)C)NC(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)17-16(5,15(19)20-7)9-8-10-18(6)11-12-21-14(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyQNLPYJFNRCIUQA-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.05
Rot. Bonds11

About methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate

methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate (PubChem CID 81062894) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
PubChem CID81062894
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Namemethyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCN(C)CCOC(C)C)NC(C)C
InChIInChI=1S/C16H34N2O3/c1-13(2)17-16(5,15(19)20-7)9-8-10-18(6)11-12-21-14(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyQNLPYJFNRCIUQA-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130
methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
CID 81074648
methyl 5-[ethyl(2-methylbutyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79481544
5-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 63698579
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
CID 106448960
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81073933
5-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 63007906
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
methyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755859
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate (CID 81062894) is methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CCCN(C)CCOC(C)C)NC(C)C.
What is the InChIKey of methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate?
The InChIKey is QNLPYJFNRCIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-13(2)17-16(5,15(19)20-7)9-8-10-18(6)11-12-21-14(3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate?
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate has a molecular weight of 302.46 g/mol, XLogP of 2.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 81062894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).