N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine

C10H21NS2 — CID 134295344

IUPACN,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine
SMILESC=CC(SC)(SC)C(C)CN(C)C
InChIInChI=1S/C10H21NS2/c1-7-10(12-5,13-6)9(2)8-11(3)4/h7,9H,1,8H2,2-6H3
InChIKeyHORLJSYAEFWZBY-UHFFFAOYSA-N
MW219.42 g/mol
LogP2.79
Rot. Bonds6

About N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine

N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine (PubChem CID 134295344) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine
PubChem CID134295344
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC NameN,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine
SMILESC=CC(SC)(SC)C(C)CN(C)C
InChIInChI=1S/C10H21NS2/c1-7-10(12-5,13-6)9(2)8-11(3)4/h7,9H,1,8H2,2-6H3
InChIKeyHORLJSYAEFWZBY-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine?
The IUPAC name of N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine (CID 134295344) is N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine?
The canonical SMILES for N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine is C=CC(SC)(SC)C(C)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine?
The InChIKey is HORLJSYAEFWZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS2/c1-7-10(12-5,13-6)9(2)8-11(3)4/h7,9H,1,8H2,2-6H3.
What are the key properties of N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine?
N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine has a molecular weight of 219.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3,3-bis(methylsulfanyl)pent-4-en-1-amine is sourced from PubChem (CID 134295344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).