N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine

C16H27NS — CID 65196618

IUPACN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(CC2(CNCC(C)C)CCC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-6-7-15(18-14)10-16(8-5-9-16)12-17-11-13(2)3/h6-7,13,17H,4-5,8-12H2,1-3H3
InChIKeyLUWBPPBJNJHKDD-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.27
Rot. Bonds7

About N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65196618) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65196618
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(CC2(CNCC(C)C)CCC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-6-7-15(18-14)10-16(8-5-9-16)12-17-11-13(2)3/h6-7,13,17H,4-5,8-12H2,1-3H3
InChIKeyLUWBPPBJNJHKDD-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
2-[[1-(chloromethyl)cyclobutyl]methyl]-5-ethylthiophene
CID 66034874
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
N-[[1-(furan-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 63000497
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 64504459
N-[[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 104631845

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (CID 65196618) is N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is CCc1ccc(CC2(CNCC(C)C)CCC2)s1.
What is the InChIKey of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LUWBPPBJNJHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-14-6-7-15(18-14)10-16(8-5-9-16)12-17-11-13(2)3/h6-7,13,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65196618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).