N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine

C10H21NS — CID 79185838

IUPACN,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
SMILESC=C(C)CC(CSC(C)C)NC
InChIInChI=1S/C10H21NS/c1-8(2)6-10(11-5)7-12-9(3)4/h9-11H,1,6-7H2,2-5H3
InChIKeyVWSIDVDXFRESEU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine

N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine (PubChem CID 79185838) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
PubChem CID79185838
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine
SMILESC=C(C)CC(CSC(C)C)NC
InChIInChI=1S/C10H21NS/c1-8(2)6-10(11-5)7-12-9(3)4/h9-11H,1,6-7H2,2-5H3
InChIKeyVWSIDVDXFRESEU-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
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,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine (CID 79185838) is N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine is C=C(C)CC(CSC(C)C)NC.
What is the InChIKey of N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine?
The InChIKey is VWSIDVDXFRESEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)6-10(11-5)7-12-9(3)4/h9-11H,1,6-7H2,2-5H3.
What are the key properties of N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine?
N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-propan-2-ylsulfanylpent-4-en-2-amine is sourced from PubChem (CID 79185838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).