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

C14H23NS — CID 65194455

IUPAC2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccs2)CCC1
InChIInChI=1S/C14H23NS/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3
InChIKeyBTLDMZZAFJTSKM-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds4

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

2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 65194455) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID65194455
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cccs2)CCC1
InChIInChI=1S/C14H23NS/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3
InChIKeyBTLDMZZAFJTSKM-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
CID 65304602
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
2-[[1-(chloromethyl)cyclobutyl]methyl]thiophene
CID 66036450
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740652
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63509068
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine (CID 65194455) is 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine is CC(C)(C)NCC1(Cc2cccs2)CCC1.
What is the InChIKey of 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is BTLDMZZAFJTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13(2,3)15-11-14(7-5-8-14)10-12-6-4-9-16-12/h4,6,9,15H,5,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(thiophen-2-ylmethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).