4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine

C13H28N2OS — CID 112658337

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine
SMILESCSCCN(C)C1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C13H28N2OS/c1-11(2)12-9-13(10-14,5-7-16-12)15(3)6-8-17-4/h11-12H,5-10,14H2,1-4H3
InChIKeyOFHBLZNQQWUENK-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.81
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine (PubChem CID 112658337) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine
PubChem CID112658337
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine
SMILESCSCCN(C)C1(CN)CCOC(C(C)C)C1
InChIInChI=1S/C13H28N2OS/c1-11(2)12-9-13(10-14,5-7-16-12)15(3)6-8-17-4/h11-12H,5-10,14H2,1-4H3
InChIKeyOFHBLZNQQWUENK-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606
1-(aminomethyl)-3-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658082
1-(aminomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563172
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 112658408
2-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
CID 112658145
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
methyl 2-[4-(aminomethyl)-2-propan-2-yloxan-4-yl]acetate
CID 66097448
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 112658132

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine (CID 112658337) is 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine is CSCCN(C)C1(CN)CCOC(C(C)C)C1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine?
The InChIKey is OFHBLZNQQWUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-11(2)12-9-13(10-14,5-7-16-12)15(3)6-8-17-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine has a molecular weight of 260.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 112658337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).