N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride

C11H18ClNS — CID 115680477

IUPACN-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
SMILESCC1(CNCc2ccsc2)CCC1.Cl
InChIInChI=1S/C11H17NS.ClH/c1-11(4-2-5-11)9-12-7-10-3-6-13-8-10;/h3,6,8,12H,2,4-5,7,9H2,1H3;1H
InChIKeyGQBJNROSMOQCCX-UHFFFAOYSA-N
MW231.79 g/mol
LogP3.45
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride

N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 115680477) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
PubChem CID115680477
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
SMILESCC1(CNCc2ccsc2)CCC1.Cl
InChIInChI=1S/C11H17NS.ClH/c1-11(4-2-5-11)9-12-7-10-3-6-13-8-10;/h3,6,8,12H,2,4-5,7,9H2,1H3;1H
InChIKeyGQBJNROSMOQCCX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 64891433
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
N-[(1-methylcyclobutyl)methyl]-1-(5-nitrothiophen-3-yl)methanamine;hydrochloride
CID 115680468
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride (CID 115680477) is N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride is CC1(CNCc2ccsc2)CCC1.Cl.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is GQBJNROSMOQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.ClH/c1-11(4-2-5-11)9-12-7-10-3-6-13-8-10;/h3,6,8,12H,2,4-5,7,9H2,1H3;1H.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride?
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 231.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 115680477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).