methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate

C15H30N2O2 — CID 55247668

IUPACmethyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
SMILESCCNC(C)(CCN1CCCC(C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-16-15(3,14(18)19-4)9-12-17-10-6-7-13(2)8-11-17/h13,16H,5-12H2,1-4H3
InChIKeyNWXRLMDPWPNCBM-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate

methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate (PubChem CID 55247668) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
PubChem CID55247668
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
SMILESCCNC(C)(CCN1CCCC(C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-16-15(3,14(18)19-4)9-12-17-10-6-7-13(2)8-11-17/h13,16H,5-12H2,1-4H3
InChIKeyNWXRLMDPWPNCBM-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62091812
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 62973499
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
ethyl 2-amino-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55248054
methyl 2-(ethylamino)-2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66369800
methyl 2-(ethylamino)-5-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentanoate
CID 63971026
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
CID 79309260
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate (CID 55247668) is methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate is CCNC(C)(CCN1CCCC(C)CC1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate?
The InChIKey is NWXRLMDPWPNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16-15(3,14(18)19-4)9-12-17-10-6-7-13(2)8-11-17/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate?
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate is sourced from PubChem (CID 55247668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).