methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate

C16H32N2O2 — CID 64727139

IUPACmethyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
SMILESCCCCN(CC)C(C)CC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-8-11-18(7-2)13(3)12-16(4,15(19)20-5)17-14-9-10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyLPNRYDDFHKDHOH-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds10

About methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate

methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate (PubChem CID 64727139) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
PubChem CID64727139
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
SMILESCCCCN(CC)C(C)CC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C16H32N2O2/c1-6-8-11-18(7-2)13(3)12-16(4,15(19)20-5)17-14-9-10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyLPNRYDDFHKDHOH-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64727339
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
ethyl 2-(cyclopropylamino)-4-(dipropylamino)-2-methylpentanoate
CID 64726602
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylpropylsulfanyl)pentanoate
CID 64711964
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
methyl 2-(cyclopropylamino)-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanoate
CID 66103871

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate (CID 64727139) is methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate is CCCCN(CC)C(C)CC(C)(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate?
The InChIKey is LPNRYDDFHKDHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-8-11-18(7-2)13(3)12-16(4,15(19)20-5)17-14-9-10-14/h13-14,17H,6-12H2,1-5H3.
What are the key properties of methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate?
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate is sourced from PubChem (CID 64727139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).