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

C13H22N2S — CID 107555762

IUPACN-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCN(C)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-8-15(2)10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyPNRIOGTXWDEFID-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.84
Rot. Bonds7

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

N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107555762) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107555762
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCCN(C)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C13H22N2S/c1-3-8-15(2)10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyPNRIOGTXWDEFID-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107557628
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
CID 107556404
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557635
N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 106009339

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107555762) is N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is CCCN(C)Cc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is PNRIOGTXWDEFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-8-15(2)10-13-7-6-12(16-13)9-14-11-4-5-11/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 238.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107555762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).