3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine

C15H32N2OS — CID 112658428

IUPAC3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
SMILESCCC(CSC)N(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H32N2OS/c1-8-12(9-19-7)17(6)15(11-16)10-13(2,3)18-14(15,4)5/h12H,8-11,16H2,1-7H3
InChIKeyVJJKJTDEILTPJJ-UHFFFAOYSA-N
MW288.50 g/mol
LogP2.73
Rot. Bonds6

About 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine

3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine (PubChem CID 112658428) has the molecular formula C15H32N2OS and a molecular weight of 288.50 g/mol. Its IUPAC name is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
PubChem CID112658428
Molecular FormulaC15H32N2OS
Molecular Weight288.50 g/mol
Exact Mass288.22
IUPAC Name3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine
SMILESCCC(CSC)N(C)C1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C15H32N2OS/c1-8-12(9-19-7)17(6)15(11-16)10-13(2,3)18-14(15,4)5/h12H,8-11,16H2,1-7H3
InChIKeyVJJKJTDEILTPJJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)oxan-4-amine
CID 112658408
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
3-(aminomethyl)-N-(3-methoxypropyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79928522
3-(aminomethyl)-N-ethyl-2,2,5,5-tetramethyl-N-(2-methylpropyl)oxolan-3-amine
CID 79928078
3-(aminomethyl)-N-(cyclopropylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79928081
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-[(2-methylcyclopropyl)methyl]oxolan-3-amine
CID 79927059
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
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
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912262
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine (CID 112658428) is 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine is CCC(CSC)N(C)C1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine?
The InChIKey is VJJKJTDEILTPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS/c1-8-12(9-19-7)17(6)15(11-16)10-13(2,3)18-14(15,4)5/h12H,8-11,16H2,1-7H3.
What are the key properties of 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine?
3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine has a molecular weight of 288.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,2,2,5,5-pentamethyl-N-(1-methylsulfanylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 112658428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).