methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide

C13H30N2O2 — CID 156868708

IUPACmethanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)C.CN
InChIInChI=1S/C12H25NO2.CH5N/c1-10(2)6-9-15-12(4,5)7-8-13-11(3)14;1-2/h10H,6-9H2,1-5H3,(H,13,14);2H2,1H3
InChIKeyRSDQSHWDMPOYEK-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.93
Rot. Bonds7

About methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide

methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide (PubChem CID 156868708) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide.

Molecular Properties

Compound Namemethanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
PubChem CID156868708
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namemethanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
SMILESCC(=O)NCCC(C)(C)OCCC(C)C.CN
InChIInChI=1S/C12H25NO2.CH5N/c1-10(2)6-9-15-12(4,5)7-8-13-11(3)14;1-2/h10H,6-9H2,1-5H3,(H,13,14);2H2,1H3
InChIKeyRSDQSHWDMPOYEK-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-[3-[3-(2-aminoethoxy)-3-methylbutoxy]-3-methylbutyl]acetamide
CID 122606411
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
tert-butyl N-[3-methyl-3-(3-methylbutoxy)pentyl]carbamate
CID 118409061
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
tert-butyl N-[3-(3-bromobutoxy)-3-methylbutyl]carbamate
CID 167168575
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
N-[3-[2-(4-acetamido-2-methylbutan-2-yl)oxyethoxy]-3-methylbutyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 123401479

Frequently Asked Questions

What is the IUPAC name of methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide?
The IUPAC name of methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide (CID 156868708) is methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide.
What is the SMILES notation for methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide?
The canonical SMILES for methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide is CC(=O)NCCC(C)(C)OCCC(C)C.CN.
What is the InChIKey of methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide?
The InChIKey is RSDQSHWDMPOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.CH5N/c1-10(2)6-9-15-12(4,5)7-8-13-11(3)14;1-2/h10H,6-9H2,1-5H3,(H,13,14);2H2,1H3.
What are the key properties of methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide?
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide has a molecular weight of 246.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide is sourced from PubChem (CID 156868708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).