methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate

C14H28N2O2 — CID 114133037

IUPACmethyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
SMILESCCCCC(NCCN(CC)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-4-6-7-13(14(17)18-3)15-10-11-16(5-2)12-8-9-12/h12-13,15H,4-11H2,1-3H3
InChIKeyXJZDBLWKPDLBKK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds10

About methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate

methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate (PubChem CID 114133037) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
PubChem CID114133037
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
SMILESCCCCC(NCCN(CC)C1CC1)C(=O)OC
InChIInChI=1S/C14H28N2O2/c1-4-6-7-13(14(17)18-3)15-10-11-16(5-2)12-8-9-12/h12-13,15H,4-11H2,1-3H3
InChIKeyXJZDBLWKPDLBKK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
CID 103096963
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate?
The IUPAC name of methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate (CID 114133037) is methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate.
What is the SMILES notation for methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate?
The canonical SMILES for methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate is CCCCC(NCCN(CC)C1CC1)C(=O)OC.
What is the InChIKey of methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate?
The InChIKey is XJZDBLWKPDLBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-6-7-13(14(17)18-3)15-10-11-16(5-2)12-8-9-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate?
methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate has a molecular weight of 256.39 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate is sourced from PubChem (CID 114133037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).