5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine

C10H22N2S — CID 91375605

IUPAC5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine
SMILESCCCC(NC)SCCC=CCN
InChIInChI=1S/C10H22N2S/c1-3-7-10(12-2)13-9-6-4-5-8-11/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyPPDDLNNMVCVHMU-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.97
Rot. Bonds8

About 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine

5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine (PubChem CID 91375605) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine.

Molecular Properties

Compound Name5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine
PubChem CID91375605
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine
SMILESCCCC(NC)SCCC=CCN
InChIInChI=1S/C10H22N2S/c1-3-7-10(12-2)13-9-6-4-5-8-11/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyPPDDLNNMVCVHMU-UHFFFAOYSA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)sulfanyl]ethanamine
CID 3047919
CID 59986614
CID 59986614
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
2-methylsulfanyl-2,3,4,7-tetrahydro-1H-azepine
CID 70439094
(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89340268
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89343193
5-[1-(Methylamino)butylsulfanyl]pent-2-en-1-amine;propan-2-one
CID 91375604
2-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123468671
(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
CID 129027035
(Z)-N-ethynyl-1-methylsulfanylpent-3-en-1-amine
CID 137402014
N-methyl-2-(4H-thiopyran-2-yl)ethanamine
CID 143283929

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine?
The IUPAC name of 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine (CID 91375605) is 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine.
What is the SMILES notation for 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine?
The canonical SMILES for 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine is CCCC(NC)SCCC=CCN.
What is the InChIKey of 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine?
The InChIKey is PPDDLNNMVCVHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-7-10(12-2)13-9-6-4-5-8-11/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine?
5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)butylsulfanyl]pent-2-en-1-amine is sourced from PubChem (CID 91375605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).