2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine

C14H31NOS — CID 115894477

IUPAC2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCCC(C)S(C)=O
InChIInChI=1S/C14H31NOS/c1-11(2)9-14(10-12(3)4)15-8-7-13(5)17(6)16/h11-15H,7-10H2,1-6H3
InChIKeyQMCUYHOZIQHJMM-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.19
Rot. Bonds9

About 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine

2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine (PubChem CID 115894477) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
PubChem CID115894477
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCCC(C)S(C)=O
InChIInChI=1S/C14H31NOS/c1-11(2)9-14(10-12(3)4)15-8-7-13(5)17(6)16/h11-15H,7-10H2,1-6H3
InChIKeyQMCUYHOZIQHJMM-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfinylbutyl)heptan-4-amine
CID 115894411
2-methyl-N-(3-methylsulfinylbutyl)pentan-3-amine
CID 115894594
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563
N-[1-(3,5-difluorophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894604
(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
3-methylsulfinyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 84595589
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
3-methylsulfinyl-N-(1-pyridin-2-ylethyl)butan-1-amine
CID 115894496
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
CID 115729496
N'-tert-butyl-N-(3-methylsulfinylbutyl)ethane-1,2-diamine
CID 107446156
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine (CID 115894477) is 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine is CC(C)CC(CC(C)C)NCCC(C)S(C)=O.
What is the InChIKey of 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine?
The InChIKey is QMCUYHOZIQHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-11(2)9-14(10-12(3)4)15-8-7-13(5)17(6)16/h11-15H,7-10H2,1-6H3.
What are the key properties of 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine?
2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine has a molecular weight of 261.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-methylsulfinylbutyl)heptan-4-amine is sourced from PubChem (CID 115894477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).