1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

C15H26N2S — CID 106662989

IUPAC1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)Cc1cccs1
InChIInChI=1S/C15H26N2S/c1-12-8-14(2,3)10-15(12,11-16)17(4)9-13-6-5-7-18-13/h5-7,12H,8-11,16H2,1-4H3
InChIKeyDHRIAZQZHQNUEN-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.33
Rot. Bonds4

About 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine

1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (PubChem CID 106662989) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
PubChem CID106662989
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)Cc1cccs1
InChIInChI=1S/C15H26N2S/c1-12-8-14(2,3)10-15(12,11-16)17(4)9-13-6-5-7-18-13/h5-7,12H,8-11,16H2,1-4H3
InChIKeyDHRIAZQZHQNUEN-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine (CID 106662989) is 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is CC1CC(C)(C)CC1(CN)N(C)Cc1cccs1.
What is the InChIKey of 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is DHRIAZQZHQNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-8-14(2,3)10-15(12,11-16)17(4)9-13-6-5-7-18-13/h5-7,12H,8-11,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine?
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 106662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).