ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate

C17H34N2O2 — CID 78977417

IUPACethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN(CCC(C)C)C1CC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-18-17(5,16(20)21-7-2)11-13-19(15-8-9-15)12-10-14(3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyPLLQTYUUZQSIMG-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds11

About ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate

ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate (PubChem CID 78977417) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
PubChem CID78977417
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate
SMILESCCNC(C)(CCN(CCC(C)C)C1CC1)C(=O)OCC
InChIInChI=1S/C17H34N2O2/c1-6-18-17(5,16(20)21-7-2)11-13-19(15-8-9-15)12-10-14(3)4/h14-15,18H,6-13H2,1-5H3
InChIKeyPLLQTYUUZQSIMG-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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

methyl 2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanoate
CID 78977372
2-amino-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanamide
CID 78977398
methyl 2-amino-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanoate
CID 78977512
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
CID 63911546
methyl 3-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(methylamino)propanoate
CID 78977393
ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
CID 63165725
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate?
The IUPAC name of ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate (CID 78977417) is ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate.
What is the SMILES notation for ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate?
The canonical SMILES for ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate is CCNC(C)(CCN(CCC(C)C)C1CC1)C(=O)OCC.
What is the InChIKey of ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate?
The InChIKey is PLLQTYUUZQSIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-18-17(5,16(20)21-7-2)11-13-19(15-8-9-15)12-10-14(3)4/h14-15,18H,6-13H2,1-5H3.
What are the key properties of ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate?
ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanoate is sourced from PubChem (CID 78977417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).