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

C15H25NS — CID 62724982

IUPACN-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccs2)CCCCC1
InChIInChI=1S/C15H25NS/c1-2-10-16-13-15(8-4-3-5-9-15)12-14-7-6-11-17-14/h6-7,11,16H,2-5,8-10,12-13H2,1H3
InChIKeyDJAUEPASBOVQBN-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.24
Rot. Bonds6

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

N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 62724982) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID62724982
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2cccs2)CCCCC1
InChIInChI=1S/C15H25NS/c1-2-10-16-13-15(8-4-3-5-9-15)12-14-7-6-11-17-14/h6-7,11,16H,2-5,8-10,12-13H2,1H3
InChIKeyDJAUEPASBOVQBN-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.24
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

2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
CID 65194455
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-[[2-cyclopropyl-3-(thiophen-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 104509839
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 62724982) is N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(Cc2cccs2)CCCCC1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is DJAUEPASBOVQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-10-16-13-15(8-4-3-5-9-15)12-14-7-6-11-17-14/h6-7,11,16H,2-5,8-10,12-13H2,1H3.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 62724982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).