methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate

C12H23NO2 — CID 103096963

IUPACmethyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
SMILESCCCCC(NCC1CC1C)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(12(14)15-3)13-8-10-7-9(10)2/h9-11,13H,4-8H2,1-3H3
InChIKeyJAVFYFQCCVFVEI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds7

About methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate

methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate (PubChem CID 103096963) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
PubChem CID103096963
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[(2-methylcyclopropyl)methylamino]hexanoate
SMILESCCCCC(NCC1CC1C)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-5-6-11(12(14)15-3)13-8-10-7-9(10)2/h9-11,13H,4-8H2,1-3H3
InChIKeyJAVFYFQCCVFVEI-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-hydroxycyclopentyl)methylamino]hexanoate
CID 103255155
methyl 2-[(2-hydroxycyclohexyl)methylamino]hexanoate
CID 103254108
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467
methyl 2-(oxolan-3-ylmethylamino)hexanoate
CID 103868431
methyl 2-(but-2-ynylamino)hexanoate
CID 103868535
methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
CID 114133037
methyl 2-(2-bromoprop-2-enylamino)hexanoate
CID 103264452
methyl 2-(prop-2-enylamino)hexanoate
CID 62353105
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-[(2,3-dihydroxy-2-methylpropyl)amino]hexanoate
CID 103255975
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate?
The IUPAC name of methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate (CID 103096963) is methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate.
What is the SMILES notation for methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate?
The canonical SMILES for methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate is CCCCC(NCC1CC1C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate?
The InChIKey is JAVFYFQCCVFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-6-11(12(14)15-3)13-8-10-7-9(10)2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate?
methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclopropyl)methylamino]hexanoate is sourced from PubChem (CID 103096963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).