ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate

C17H36N2O2 — CID 64710729

IUPACethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)CCC(C)C)NC(C)C
InChIInChI=1S/C17H36N2O2/c1-9-21-16(20)17(7,18-14(4)5)12-15(6)19(8)11-10-13(2)3/h13-15,18H,9-12H2,1-8H3
InChIKeyKFPQRSMRNKUKIY-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.06
Rot. Bonds10

About ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate

ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate (PubChem CID 64710729) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
PubChem CID64710729
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Nameethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N(C)CCC(C)C)NC(C)C
InChIInChI=1S/C17H36N2O2/c1-9-21-16(20)17(7,18-14(4)5)12-15(6)19(8)11-10-13(2)3/h13-15,18H,9-12H2,1-8H3
InChIKeyKFPQRSMRNKUKIY-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 81044614
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 103190949
ethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate (CID 64710729) is ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CC(C)N(C)CCC(C)C)NC(C)C.
What is the InChIKey of ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate?
The InChIKey is KFPQRSMRNKUKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-9-21-16(20)17(7,18-14(4)5)12-15(6)19(8)11-10-13(2)3/h13-15,18H,9-12H2,1-8H3.
What are the key properties of ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate?
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate has a molecular weight of 300.49 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64710729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).