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

C14H23NS — CID 81034479

IUPACN-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1cccs1
InChIInChI=1S/C14H23NS/c1-2-8-15-11-13-6-3-5-12(13)10-14-7-4-9-16-14/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyLKLKTULJKAHKJF-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.71
Rot. Bonds6

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

N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine (PubChem CID 81034479) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
PubChem CID81034479
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1CCCC1Cc1cccs1
InChIInChI=1S/C14H23NS/c1-2-8-15-11-13-6-3-5-12(13)10-14-7-4-9-16-14/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3
InChIKeyLKLKTULJKAHKJF-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.71
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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Related Compounds

N-[[2-(2-thiophen-2-ylethyl)cyclobutyl]methyl]propan-1-amine
CID 81017720
N-[[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034653
N-[(2-thiophen-2-yloxan-3-yl)methyl]propan-1-amine
CID 79365098
N-[[2-[(3-bromothiophen-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025588
N-[[2-(thiophen-2-ylmethyl)cyclobutyl]methyl]cyclopropanamine
CID 81017241
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine (CID 81034479) is N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine is CCCNCC1CCCC1Cc1cccs1.
What is the InChIKey of N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine?
The InChIKey is LKLKTULJKAHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-8-15-11-13-6-3-5-12(13)10-14-7-4-9-16-14/h4,7,9,12-13,15H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine?
N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-2-ylmethyl)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81034479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).