N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

C11H23NS — CID 79177733

IUPACN,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCNC(C=C(C)C)CSCC(C)C
InChIInChI=1S/C11H23NS/c1-9(2)6-11(12-5)8-13-7-10(3)4/h6,10-12H,7-8H2,1-5H3
InChIKeyORPNXHULWDXHRL-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds6

About N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (PubChem CID 79177733) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
PubChem CID79177733
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCNC(C=C(C)C)CSCC(C)C
InChIInChI=1S/C11H23NS/c1-9(2)6-11(12-5)8-13-7-10(3)4/h6,10-12H,7-8H2,1-5H3
InChIKeyORPNXHULWDXHRL-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
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-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (CID 79177733) is N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine is CNC(C=C(C)C)CSCC(C)C.
What is the InChIKey of N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The InChIKey is ORPNXHULWDXHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)6-11(12-5)8-13-7-10(3)4/h6,10-12H,7-8H2,1-5H3.
What are the key properties of N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
N,4-dimethyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 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-(2-methylpropylsulfanyl)pent-3-en-2-amine is sourced from PubChem (CID 79177733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).