2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine

C13H27N3S — CID 79175307

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H27N3S/c1-15-11-3-4-13(15)10-16(7-5-11)12(9-14)6-8-17-2/h11-13H,3-10,14H2,1-2H3
InChIKeyDYIDPCWXCUCPIO-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds5

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 79175307) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
PubChem CID79175307
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
SMILESCSCCC(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C13H27N3S/c1-15-11-3-4-13(15)10-16(7-5-11)12(9-14)6-8-17-2/h11-13H,3-10,14H2,1-2H3
InChIKeyDYIDPCWXCUCPIO-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine with MolForge

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylsulfanylbutan-1-amine
CID 79932410
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine
CID 63608542
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
4-amino-N-ethyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanamide
CID 79175132
tert-butyl N-[4-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butyl]carbamate
CID 102730293
5-methylsulfanyl-2-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-amine
CID 103089049
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103531652
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 62887144

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine (CID 79175307) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine is CSCCC(CN)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is DYIDPCWXCUCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-15-11-3-4-13(15)10-16(7-5-11)12(9-14)6-8-17-2/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 79175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).