4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine

C12H26N2OS — CID 112658408

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
SMILESCCC(CSC)N(C)C1(CN)CCOCC1
InChIInChI=1S/C12H26N2OS/c1-4-11(9-16-3)14(2)12(10-13)5-7-15-8-6-12/h11H,4-10,13H2,1-3H3
InChIKeyVITUJGDGJMOJLO-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.57
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine (PubChem CID 112658408) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
PubChem CID112658408
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
SMILESCCC(CSC)N(C)C1(CN)CCOCC1
InChIInChI=1S/C12H26N2OS/c1-4-11(9-16-3)14(2)12(10-13)5-7-15-8-6-12/h11H,4-10,13H2,1-3H3
InChIKeyVITUJGDGJMOJLO-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
CID 112658428
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
CID 112658341
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
2-N-[4-(aminomethyl)oxepan-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188230
N-methyl-1-methylsulfanyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]butan-2-amine
CID 115987456
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine (CID 112658408) is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine is CCC(CSC)N(C)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
The InChIKey is VITUJGDGJMOJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-11(9-16-3)14(2)12(10-13)5-7-15-8-6-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine?
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine has a molecular weight of 246.42 g/mol, XLogP of 1.57, 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-(1-methylsulfanylbutan-2-yl)oxan-4-amine is sourced from PubChem (CID 112658408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).