N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine

C14H27NS — CID 166808542

IUPACN-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine
SMILESC=CC(CSCC(=C)C(C)C)N(C)C(C)C
InChIInChI=1S/C14H27NS/c1-8-14(15(7)12(4)5)10-16-9-13(6)11(2)3/h8,11-12,14H,1,6,9-10H2,2-5,7H3
InChIKeyCMCWVJTVLQZRLJ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds8

About N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine

N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine (PubChem CID 166808542) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine
PubChem CID166808542
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine
SMILESC=CC(CSCC(=C)C(C)C)N(C)C(C)C
InChIInChI=1S/C14H27NS/c1-8-14(15(7)12(4)5)10-16-9-13(6)11(2)3/h8,11-12,14H,1,6,9-10H2,2-5,7H3
InChIKeyCMCWVJTVLQZRLJ-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine?
The IUPAC name of N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine (CID 166808542) is N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine?
The canonical SMILES for N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine is C=CC(CSCC(=C)C(C)C)N(C)C(C)C.
What is the InChIKey of N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine?
The InChIKey is CMCWVJTVLQZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-8-14(15(7)12(4)5)10-16-9-13(6)11(2)3/h8,11-12,14H,1,6,9-10H2,2-5,7H3.
What are the key properties of N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine?
N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-methylidenebutyl)sulfanyl-N-propan-2-ylbut-3-en-2-amine is sourced from PubChem (CID 166808542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).