4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine

C13H24N2S — CID 106173472

IUPAC4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
SMILESNCC1(NCCC2=CCCC2)CCSCC1
InChIInChI=1S/C13H24N2S/c14-11-13(6-9-16-10-7-13)15-8-5-12-3-1-2-4-12/h3,15H,1-2,4-11,14H2
InChIKeyUQMXMABWZIYTOC-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.30
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine

4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine (PubChem CID 106173472) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
PubChem CID106173472
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
SMILESNCC1(NCCC2=CCCC2)CCSCC1
InChIInChI=1S/C13H24N2S/c14-11-13(6-9-16-10-7-13)15-8-5-12-3-1-2-4-12/h3,15H,1-2,4-11,14H2
InChIKeyUQMXMABWZIYTOC-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 106173434
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
CID 114153856
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclobutan-1-amine
CID 106173190
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106169973
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine (CID 106173472) is 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine is NCC1(NCCC2=CCCC2)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine?
The InChIKey is UQMXMABWZIYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c14-11-13(6-9-16-10-7-13)15-8-5-12-3-1-2-4-12/h3,15H,1-2,4-11,14H2.
What are the key properties of 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine?
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine has a molecular weight of 240.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine is sourced from PubChem (CID 106173472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).