1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine

C19H33NS — CID 115856802

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H33NS/c1-4-12-20-18(8-7-17-9-13-21-15-17)19(14-16(2)3)10-5-6-11-19/h9,13,15-16,18,20H,4-8,10-12,14H2,1-3H3
InChIKeyGFELJKRTPCQEKN-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.66
Rot. Bonds9

About 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine

1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 115856802) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID115856802
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H33NS/c1-4-12-20-18(8-7-17-9-13-21-15-17)19(14-16(2)3)10-5-6-11-19/h9,13,15-16,18,20H,4-8,10-12,14H2,1-3H3
InChIKeyGFELJKRTPCQEKN-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 115856802) is 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)C1(CC(C)C)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is GFELJKRTPCQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-4-12-20-18(8-7-17-9-13-21-15-17)19(14-16(2)3)10-5-6-11-19/h9,13,15-16,18,20H,4-8,10-12,14H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 115856802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).