N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine

C10H19NS — CID 170193414

IUPACN,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine
SMILESCSC1=CCC(CN(C)C)CC1
InChIInChI=1S/C10H19NS/c1-11(2)8-9-4-6-10(12-3)7-5-9/h6,9H,4-5,7-8H2,1-3H3
InChIKeyIWVVLPVQOPJUPD-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine

N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine (PubChem CID 170193414) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine
PubChem CID170193414
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine
SMILESCSC1=CCC(CN(C)C)CC1
InChIInChI=1S/C10H19NS/c1-11(2)8-9-4-6-10(12-3)7-5-9/h6,9H,4-5,7-8H2,1-3H3
InChIKeyIWVVLPVQOPJUPD-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine (CID 170193414) is N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine is CSC1=CCC(CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine?
The InChIKey is IWVVLPVQOPJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-11(2)8-9-4-6-10(12-3)7-5-9/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine?
N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine has a molecular weight of 185.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylsulfanylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 170193414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).