methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate

C17H34N2O2 — CID 78998497

IUPACmethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-18-17(5,16(20)21-6)12-14(4)19(15-8-9-15)11-10-13(2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyHNFLGXIGRHETGZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds10

About methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate

methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate (PubChem CID 78998497) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
PubChem CID78998497
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C17H34N2O2/c1-7-18-17(5,16(20)21-6)12-14(4)19(15-8-9-15)11-10-13(2)3/h13-15,18H,7-12H2,1-6H3
InChIKeyHNFLGXIGRHETGZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
CID 78977417
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78989879
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64712177
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64711835

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate (CID 78998497) is methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate is CCNC(C)(CC(C)N(CCC(C)C)C1CC1)C(=O)OC.
What is the InChIKey of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate?
The InChIKey is HNFLGXIGRHETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-18-17(5,16(20)21-6)12-14(4)19(15-8-9-15)11-10-13(2)3/h13-15,18H,7-12H2,1-6H3.
What are the key properties of methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate?
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 78998497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).