N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

C15H25NS — CID 81024765

IUPACN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccsc1
InChIInChI=1S/C15H25NS/c1-12(2)16-10-15-6-4-3-5-14(15)9-13-7-8-17-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3
InChIKeyDDISWJPPJOEWGT-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.09
Rot. Bonds5

About N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81024765) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81024765
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1Cc1ccsc1
InChIInChI=1S/C15H25NS/c1-12(2)16-10-15-6-4-3-5-14(15)9-13-7-8-17-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3
InChIKeyDDISWJPPJOEWGT-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-methyl-1-[2-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 81032845
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[4-ethyl-2-(2-thiophen-3-ylethyl)cyclohexyl]methyl]propan-2-amine
CID 81030095
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 81024765) is N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1Cc1ccsc1.
What is the InChIKey of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is DDISWJPPJOEWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-12(2)16-10-15-6-4-3-5-14(15)9-13-7-8-17-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).