methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate

C16H32N2O2 — CID 64710892

IUPACmethyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(CC1CC1)C(C)C)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-7-17-16(5,15(19)20-6)10-13(4)18(12(2)3)11-14-8-9-14/h12-14,17H,7-11H2,1-6H3
InChIKeyQNJKTSHRAUMNMS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds9

About methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate

methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate (PubChem CID 64710892) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
PubChem CID64710892
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(CC1CC1)C(C)C)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-7-17-16(5,15(19)20-6)10-13(4)18(12(2)3)11-14-8-9-14/h12-14,17H,7-11H2,1-6H3
InChIKeyQNJKTSHRAUMNMS-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711767
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
methyl 2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylpentanoate
CID 107755163
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate (CID 64710892) is methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate is CCNC(C)(CC(C)N(CC1CC1)C(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate?
The InChIKey is QNJKTSHRAUMNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-17-16(5,15(19)20-6)10-13(4)18(12(2)3)11-14-8-9-14/h12-14,17H,7-11H2,1-6H3.
What are the key properties of methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate?
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 64710892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).