N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

C13H21NOS — CID 107558277

IUPACN-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C13H21NOS/c1-2-3-8-15-10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyCXNOHQYTHPEZOT-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.32
Rot. Bonds8

About N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107558277) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107558277
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C13H21NOS/c1-2-3-8-15-10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,2-5,8-10H2,1H3
InChIKeyCXNOHQYTHPEZOT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558820
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559313

Frequently Asked Questions

What is the IUPAC name of N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 107558277) is N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is CCCCOCc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is CXNOHQYTHPEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-3-8-15-10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,2-5,8-10H2,1H3.
What are the key properties of N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 239.38 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).