N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine

C10H21NS — CID 79178827

IUPACN,4-dimethyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCSCC(C=C(C)C)NC
InChIInChI=1S/C10H21NS/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3
InChIKeyOJCXAUDMGUPEIT-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds6

About N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine

N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine (PubChem CID 79178827) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-propylsulfanylpent-3-en-2-amine
PubChem CID79178827
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN,4-dimethyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCSCC(C=C(C)C)NC
InChIInChI=1S/C10H21NS/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3
InChIKeyOJCXAUDMGUPEIT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 58684584
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CID 58685143
CID 58685143
CID 70452161
CID 70452161
CID 79179493
CID 79179493
CID 89291986
CID 89291986
CID 91522422
CID 91522422
CID 129027035
CID 129027035
CID 130195093
CID 130195093
CID 132032768
CID 132032768

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine?
The IUPAC name of N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine (CID 79178827) is N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine is CCCSCC(C=C(C)C)NC.
What is the InChIKey of N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine?
The InChIKey is OJCXAUDMGUPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-6-12-8-10(11-4)7-9(2)3/h7,10-11H,5-6,8H2,1-4H3.
What are the key properties of N,4-dimethyl-1-propylsulfanylpent-3-en-2-amine?
N,4-dimethyl-1-propylsulfanylpent-3-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-propylsulfanylpent-3-en-2-amine is sourced from PubChem (CID 79178827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).