N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine

C15H26N2S — CID 79070422

IUPACN,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCN(CC)C1(C(NC)c2ccsc2)CCCC1
InChIInChI=1S/C15H26N2S/c1-4-17(5-2)15(9-6-7-10-15)14(16-3)13-8-11-18-12-13/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyBESKDXAVEDZHAY-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.66
Rot. Bonds6

About N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine

N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (PubChem CID 79070422) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
PubChem CID79070422
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCN(CC)C1(C(NC)c2ccsc2)CCCC1
InChIInChI=1S/C15H26N2S/c1-4-17(5-2)15(9-6-7-10-15)14(16-3)13-8-11-18-12-13/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyBESKDXAVEDZHAY-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (CID 79070422) is N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is CCN(CC)C1(C(NC)c2ccsc2)CCCC1.
What is the InChIKey of N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is BESKDXAVEDZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-17(5-2)15(9-6-7-10-15)14(16-3)13-8-11-18-12-13/h8,11-12,14,16H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79070422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).