methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate

C15H28N2O2 — CID 55142969

IUPACmethyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCCCN(CCC(NC1CC1)C(=O)OC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-10-17(13-7-8-13)11-9-14(15(18)19-2)16-12-5-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyLQHWANJFRSAYFK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds10

About methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate

methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate (PubChem CID 55142969) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
PubChem CID55142969
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
SMILESCCCCN(CCC(NC1CC1)C(=O)OC)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-10-17(13-7-8-13)11-9-14(15(18)19-2)16-12-5-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyLQHWANJFRSAYFK-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanoate
CID 63055370
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanoate
CID 78923978
methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
CID 114133037
methyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)butanoate
CID 107401182
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate?
The IUPAC name of methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate (CID 55142969) is methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate.
What is the SMILES notation for methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate?
The canonical SMILES for methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate is CCCCN(CCC(NC1CC1)C(=O)OC)C1CC1.
What is the InChIKey of methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate?
The InChIKey is LQHWANJFRSAYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-10-17(13-7-8-13)11-9-14(15(18)19-2)16-12-5-6-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate?
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate is sourced from PubChem (CID 55142969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).