methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate

C15H30N2O2 — CID 54880256

IUPACmethyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-13(15(18)19-3)12-16-10-7-11-17(2)14-8-5-4-6-9-14/h13-14,16H,4-12H2,1-3H3
InChIKeyXONHAFNOAVTPAU-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

About methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate

methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate (PubChem CID 54880256) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
PubChem CID54880256
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNCCCN(C)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-13(15(18)19-3)12-16-10-7-11-17(2)14-8-5-4-6-9-14/h13-14,16H,4-12H2,1-3H3
InChIKeyXONHAFNOAVTPAU-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
methyl (2R)-3-[3-(dimethylamino)propylamino]-2-methylpropanoate
CID 93035176
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
4-[3-[cyclohexyl(methyl)amino]propylamino]-3-hydroxybutanoic acid
CID 103240520
N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441949
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
methyl 2-[3-[cyclohexyl(methyl)amino]propylamino]but-3-enoate
CID 114242474
methyl 3-[2-[cyclopentyl(methyl)amino]ethylamino]-2-methylbutanoate
CID 79397246
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate (CID 54880256) is methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate is COC(=O)C(C)CNCCCN(C)C1CCCCC1.
What is the InChIKey of methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate?
The InChIKey is XONHAFNOAVTPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(15(18)19-3)12-16-10-7-11-17(2)14-8-5-4-6-9-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate?
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate is sourced from PubChem (CID 54880256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).