N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine

C9H21NS — CID 156574055

IUPACN-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine
SMILESC=C(C)C(C)S(C)(C)N(C)C
InChIInChI=1S/C9H21NS/c1-8(2)9(3)11(6,7)10(4)5/h9H,1H2,2-7H3
InChIKeyXTXQXLRVRBNRQX-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.49
Rot. Bonds3

About N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine

N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine (PubChem CID 156574055) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine
PubChem CID156574055
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine
SMILESC=C(C)C(C)S(C)(C)N(C)C
InChIInChI=1S/C9H21NS/c1-8(2)9(3)11(6,7)10(4)5/h9H,1H2,2-7H3
InChIKeyXTXQXLRVRBNRQX-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine?
The IUPAC name of N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine (CID 156574055) is N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine is C=C(C)C(C)S(C)(C)N(C)C.
What is the InChIKey of N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine?
The InChIKey is XTXQXLRVRBNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-8(2)9(3)11(6,7)10(4)5/h9H,1H2,2-7H3.
What are the key properties of N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine?
N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine has a molecular weight of 175.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(3-methylbut-3-en-2-yl)-λ4-sulfanyl]-N-methylmethanamine is sourced from PubChem (CID 156574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).