N,4-dimethyl-1-methylsulfanylhexan-3-amine

C9H21NS — CID 105170590

IUPACN,4-dimethyl-1-methylsulfanylhexan-3-amine
SMILESCCC(C)C(CCSC)NC
InChIInChI=1S/C9H21NS/c1-5-8(2)9(10-3)6-7-11-4/h8-10H,5-7H2,1-4H3
InChIKeyPQFCCHZRWOMAHX-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.37
Rot. Bonds6

About N,4-dimethyl-1-methylsulfanylhexan-3-amine

N,4-dimethyl-1-methylsulfanylhexan-3-amine (PubChem CID 105170590) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,4-dimethyl-1-methylsulfanylhexan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-methylsulfanylhexan-3-amine
PubChem CID105170590
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,4-dimethyl-1-methylsulfanylhexan-3-amine
SMILESCCC(C)C(CCSC)NC
InChIInChI=1S/C9H21NS/c1-5-8(2)9(10-3)6-7-11-4/h8-10H,5-7H2,1-4H3
InChIKeyPQFCCHZRWOMAHX-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-methylsulfanylhexan-3-amine?
The IUPAC name of N,4-dimethyl-1-methylsulfanylhexan-3-amine (CID 105170590) is N,4-dimethyl-1-methylsulfanylhexan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-methylsulfanylhexan-3-amine?
The canonical SMILES for N,4-dimethyl-1-methylsulfanylhexan-3-amine is CCC(C)C(CCSC)NC.
What is the InChIKey of N,4-dimethyl-1-methylsulfanylhexan-3-amine?
The InChIKey is PQFCCHZRWOMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-5-8(2)9(10-3)6-7-11-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N,4-dimethyl-1-methylsulfanylhexan-3-amine?
N,4-dimethyl-1-methylsulfanylhexan-3-amine has a molecular weight of 175.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-methylsulfanylhexan-3-amine is sourced from PubChem (CID 105170590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).