N,N-dimethyl-5-methylsulfanylhexan-3-amine

C9H21NS — CID 177172917

IUPACN,N-dimethyl-5-methylsulfanylhexan-3-amine
SMILESCCC(CC(C)SC)N(C)C
InChIInChI=1S/C9H21NS/c1-6-9(10(3)4)7-8(2)11-5/h8-9H,6-7H2,1-5H3
InChIKeyXJWFXZPFKIWGJX-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds5

About N,N-dimethyl-5-methylsulfanylhexan-3-amine

N,N-dimethyl-5-methylsulfanylhexan-3-amine (PubChem CID 177172917) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,N-dimethyl-5-methylsulfanylhexan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-methylsulfanylhexan-3-amine
PubChem CID177172917
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,N-dimethyl-5-methylsulfanylhexan-3-amine
SMILESCCC(CC(C)SC)N(C)C
InChIInChI=1S/C9H21NS/c1-6-9(10(3)4)7-8(2)11-5/h8-9H,6-7H2,1-5H3
InChIKeyXJWFXZPFKIWGJX-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-methylsulfanylhexan-3-amine?
The IUPAC name of N,N-dimethyl-5-methylsulfanylhexan-3-amine (CID 177172917) is N,N-dimethyl-5-methylsulfanylhexan-3-amine.
What is the SMILES notation for N,N-dimethyl-5-methylsulfanylhexan-3-amine?
The canonical SMILES for N,N-dimethyl-5-methylsulfanylhexan-3-amine is CCC(CC(C)SC)N(C)C.
What is the InChIKey of N,N-dimethyl-5-methylsulfanylhexan-3-amine?
The InChIKey is XJWFXZPFKIWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-6-9(10(3)4)7-8(2)11-5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-dimethyl-5-methylsulfanylhexan-3-amine?
N,N-dimethyl-5-methylsulfanylhexan-3-amine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-methylsulfanylhexan-3-amine is sourced from PubChem (CID 177172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).