4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine

C14H22N2S — CID 79494859

IUPAC4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC(Cc1cccs1)N(C)CC1C=CC(N)C1
InChIInChI=1S/C14H22N2S/c1-11(8-14-4-3-7-17-14)16(2)10-12-5-6-13(15)9-12/h3-7,11-13H,8-10,15H2,1-2H3
InChIKeyBLDKUJBPRYIBLC-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.51
Rot. Bonds5

About 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine

4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79494859) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79494859
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine
SMILESCC(Cc1cccs1)N(C)CC1C=CC(N)C1
InChIInChI=1S/C14H22N2S/c1-11(8-14-4-3-7-17-14)16(2)10-12-5-6-13(15)9-12/h3-7,11-13H,8-10,15H2,1-2H3
InChIKeyBLDKUJBPRYIBLC-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
N,4-dimethyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79486822
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N-[[5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79490603
N,2,2-trimethyl-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopentan-1-amine
CID 79855579
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79486442
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine (CID 79494859) is 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine is CC(Cc1cccs1)N(C)CC1C=CC(N)C1.
What is the InChIKey of 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is BLDKUJBPRYIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(8-14-4-3-7-17-14)16(2)10-12-5-6-13(15)9-12/h3-7,11-13H,8-10,15H2,1-2H3.
What are the key properties of 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine?
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79494859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).