dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium

C16H35N2O2+ — CID 177060891

IUPACdimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
SMILESCCC(C)CCOC(C)(C)CCC(=O)NCC[NH+](C)C
InChIInChI=1S/C16H34N2O2/c1-7-14(2)9-13-20-16(3,4)10-8-15(19)17-11-12-18(5)6/h14H,7-13H2,1-6H3,(H,17,19)/p+1
InChIKeyFMILQTPDBIAZCV-UHFFFAOYSA-O
MW287.47 g/mol
LogP1.26
Rot. Bonds11

About dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium

dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium (PubChem CID 177060891) has the molecular formula C16H35N2O2+ and a molecular weight of 287.47 g/mol. Its IUPAC name is dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
PubChem CID177060891
Molecular FormulaC16H35N2O2+
Molecular Weight287.47 g/mol
Exact Mass287.27
IUPAC Namedimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
SMILESCCC(C)CCOC(C)(C)CCC(=O)NCC[NH+](C)C
InChIInChI=1S/C16H34N2O2/c1-7-14(2)9-13-20-16(3,4)10-8-15(19)17-11-12-18(5)6/h14H,7-13H2,1-6H3,(H,17,19)/p+1
InChIKeyFMILQTPDBIAZCV-UHFFFAOYSA-O
XLogP1.26
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium with MolForge

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Related Compounds

3-methyl-3-(3-methylpentoxy)butan-1-amine
CID 89007846
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
2-[[4-[(4-ethoxy-4-methylpentanoyl)amino]-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoyl]amino]-N,N'-bis[2-(2-hydroxyethoxy)ethyl]pentanediamide
CID 155219981
N,N'-bis[2-(2-aminooxyethoxy)ethyl]-2-[[5-[2-(2-aminooxyethoxy)ethylamino]-4-[(4-ethoxy-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]pentanediamide
CID 126761941
2-(methylamino)-5-[2-[2-methyl-4-(2-methyl-4-oxopentan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentanoic acid
CID 176958655
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylpentane
CID 89355930
dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
CID 142404926
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium (CID 177060891) is dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium is CCC(C)CCOC(C)(C)CCC(=O)NCC[NH+](C)C.
What is the InChIKey of dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium?
The InChIKey is FMILQTPDBIAZCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34N2O2/c1-7-14(2)9-13-20-16(3,4)10-8-15(19)17-11-12-18(5)6/h14H,7-13H2,1-6H3,(H,17,19)/p+1.
What are the key properties of dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium?
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium has a molecular weight of 287.47 g/mol, XLogP of 1.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium is sourced from PubChem (CID 177060891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).