(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine

C14H27NS — CID 174266296

IUPAC(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine
SMILESCCC/C=C/S/C(CNC(C)C)=C(\C)CC
InChIInChI=1S/C14H27NS/c1-6-8-9-10-16-14(13(5)7-2)11-15-12(3)4/h9-10,12,15H,6-8,11H2,1-5H3/b10-9+,14-13+
InChIKeyVKNUTCJLDLQHOD-LBSPPQMYSA-N
MW241.44 g/mol
LogP4.72
Rot. Bonds8

About (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine

(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine (PubChem CID 174266296) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine
PubChem CID174266296
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine
SMILESCCC/C=C/S/C(CNC(C)C)=C(\C)CC
InChIInChI=1S/C14H27NS/c1-6-8-9-10-16-14(13(5)7-2)11-15-12(3)4/h9-10,12,15H,6-8,11H2,1-5H3/b10-9+,14-13+
InChIKeyVKNUTCJLDLQHOD-LBSPPQMYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine?
The IUPAC name of (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine (CID 174266296) is (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine.
What is the SMILES notation for (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine?
The canonical SMILES for (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine is CCC/C=C/S/C(CNC(C)C)=C(\C)CC.
What is the InChIKey of (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine?
The InChIKey is VKNUTCJLDLQHOD-LBSPPQMYSA-N. The full InChI is InChI=1S/C14H27NS/c1-6-8-9-10-16-14(13(5)7-2)11-15-12(3)4/h9-10,12,15H,6-8,11H2,1-5H3/b10-9+,14-13+.
What are the key properties of (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine?
(E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine has a molecular weight of 241.44 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-[(E)-pent-1-enyl]sulfanyl-N-propan-2-ylpent-2-en-1-amine is sourced from PubChem (CID 174266296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).