N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine

C12H19NS — CID 62708007

IUPACN-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccs1
InChIInChI=1S/C12H19NS/c1-3-6-13-9-10-8-12(10,2)11-5-4-7-14-11/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyVUYDZGBLCKFCPG-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.03
Rot. Bonds5

About N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine

N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine (PubChem CID 62708007) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
PubChem CID62708007
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(C)c1cccs1
InChIInChI=1S/C12H19NS/c1-3-6-13-9-10-8-12(10,2)11-5-4-7-14-11/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyVUYDZGBLCKFCPG-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine (CID 62708007) is N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine is CCCNCC1CC1(C)c1cccs1.
What is the InChIKey of N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The InChIKey is VUYDZGBLCKFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-6-13-9-10-8-12(10,2)11-5-4-7-14-11/h4-5,7,10,13H,3,6,8-9H2,1-2H3.
What are the key properties of N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 62708007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).