3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine

C15H28N2S — CID 114153856

IUPAC3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
SMILESCC1(C)CSCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2S/c1-14(2)9-15(10-16,12-18-11-14)17-8-7-13-5-3-4-6-13/h5,17H,3-4,6-12,16H2,1-2H3
InChIKeyJZDJRDOAZLXXOA-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.94
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine

3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine (PubChem CID 114153856) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
PubChem CID114153856
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine
SMILESCC1(C)CSCC(CN)(NCCC2=CCCC2)C1
InChIInChI=1S/C15H28N2S/c1-14(2)9-15(10-16,12-18-11-14)17-8-7-13-5-3-4-6-13/h5,17H,3-4,6-12,16H2,1-2H3
InChIKeyJZDJRDOAZLXXOA-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.94
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
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]thian-4-amine
CID 106173472
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
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]oxolan-3-amine
CID 106173343
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
3-(aminomethyl)-5,5-dimethyl-N-prop-2-enylthian-3-amine
CID 79957958
4-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-1-propylazepan-4-amine
CID 106173479
N-[2-(cyclopenten-1-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 104531626
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 106173363
3-(aminomethyl)-N-(2-methoxypropyl)-5,5-dimethylthian-3-amine
CID 102697134
3-(aminomethyl)-N-(4-chlorophenyl)-5,5-dimethylthian-3-amine
CID 79958846

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine (CID 114153856) is 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine is CC1(C)CSCC(CN)(NCCC2=CCCC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine?
The InChIKey is JZDJRDOAZLXXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-14(2)9-15(10-16,12-18-11-14)17-8-7-13-5-3-4-6-13/h5,17H,3-4,6-12,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine?
3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine has a molecular weight of 268.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylthian-3-amine is sourced from PubChem (CID 114153856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).