N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine

C10H21NS — CID 103068177

IUPACN-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)CSCCC
InChIInChI=1S/C10H21NS/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyQXTAZPWZNXVXBV-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds7

About N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine

N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 103068177) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine
PubChem CID103068177
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)CSCCC
InChIInChI=1S/C10H21NS/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyQXTAZPWZNXVXBV-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine (CID 103068177) is N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine is C=C(CNC(C)C)CSCCC.
What is the InChIKey of N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is QXTAZPWZNXVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(propylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 103068177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).