N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine

C14H23NS — CID 115742240

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H23NS/c1-10-7-11(8-10)15-9-12-5-6-13(16-12)14(2,3)4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyYSKSAXPHRMUFFY-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.93
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115742240) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115742240
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2ccc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H23NS/c1-10-7-11(8-10)15-9-12-5-6-13(16-12)14(2,3)4/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyYSKSAXPHRMUFFY-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864566
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
tert-butyl N-[2-[(5-tert-butylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238324
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543876
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-cyclopropylpropanamide
CID 81498912
N-[(5-tert-butylthiophen-2-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 81498673

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine (CID 115742240) is N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2ccc(C(C)(C)C)s2)C1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is YSKSAXPHRMUFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10-7-11(8-10)15-9-12-5-6-13(16-12)14(2,3)4/h5-6,10-11,15H,7-9H2,1-4H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115742240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).