ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine

C16H37NS — CID 143342053

IUPACethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine
SMILESC=CSC(=C(C)C)C(CC)NC.CC.CC.CC
InChIInChI=1S/C10H19NS.3C2H6/c1-6-9(11-5)10(8(3)4)12-7-2;3*1-2/h7,9,11H,2,6H2,1,3-5H3;3*1-2H3
InChIKeyRPBRGKCQKHVNPA-UHFFFAOYSA-N
MW275.55 g/mol
LogP6.23
Rot. Bonds5

About ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine

ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine (PubChem CID 143342053) has the molecular formula C16H37NS and a molecular weight of 275.55 g/mol. Its IUPAC name is ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Nameethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine
PubChem CID143342053
Molecular FormulaC16H37NS
Molecular Weight275.55 g/mol
Exact Mass275.26
IUPAC Nameethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine
SMILESC=CSC(=C(C)C)C(CC)NC.CC.CC.CC
InChIInChI=1S/C10H19NS.3C2H6/c1-6-9(11-5)10(8(3)4)12-7-2;3*1-2/h7,9,11H,2,6H2,1,3-5H3;3*1-2H3
InChIKeyRPBRGKCQKHVNPA-UHFFFAOYSA-N
XLogP6.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohepta-1,3,5,6-tetraen-1-yl-N-methyl-2-methylsulfanylethanamine
CID 123352641
3-ethenylsulfanyl-4-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrrole
CID 146657267
3-ethenylsulfanyl-N,4-dimethylpent-3-en-1-amine
CID 163682439
(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine
CID 174266296
N,4-dimethyl-1-methylsulfanylpent-3-en-2-amine
CID 79190640
4-methyl-1-methylsulfanyl-N-propylpent-3-en-2-amine
CID 79190750
5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
CID 105163266
N-ethyl-5-methyl-1-methylsulfanylhex-4-en-3-amine
CID 105163369
N,5-dimethyl-1-methylsulfanylhex-4-en-3-amine
CID 105163441
4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine
CID 143342054

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine?
The IUPAC name of ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine (CID 143342053) is ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine.
What is the SMILES notation for ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine?
The canonical SMILES for ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine is C=CSC(=C(C)C)C(CC)NC.CC.CC.CC.
What is the InChIKey of ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine?
The InChIKey is RPBRGKCQKHVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.3C2H6/c1-6-9(11-5)10(8(3)4)12-7-2;3*1-2/h7,9,11H,2,6H2,1,3-5H3;3*1-2H3.
What are the key properties of ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine?
ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine has a molecular weight of 275.55 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenylsulfanyl-N,5-dimethylhex-4-en-3-amine is sourced from PubChem (CID 143342053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).