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

C14H22N2S — CID 107555832

IUPACN-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)s1)C1CC1
InChIInChI=1S/C14H22N2S/c1-2-16(12-5-6-12)10-14-8-7-13(17-14)9-15-11-3-4-11/h7-8,11-12,15H,2-6,9-10H2,1H3
InChIKeyVDAZZNXGGOFTTB-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.98
Rot. Bonds7

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

N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107555832) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107555832
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1ccc(CNC2CC2)s1)C1CC1
InChIInChI=1S/C14H22N2S/c1-2-16(12-5-6-12)10-14-8-7-13(17-14)9-15-11-3-4-11/h7-8,11-12,15H,2-6,9-10H2,1H3
InChIKeyVDAZZNXGGOFTTB-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 107555313
N-[[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62421837
N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555762
2-N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107557628
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
CID 107556404
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556124

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107555832) is N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is CCN(Cc1ccc(CNC2CC2)s1)C1CC1.
What is the InChIKey of N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is VDAZZNXGGOFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-16(12-5-6-12)10-14-8-7-13(17-14)9-15-11-3-4-11/h7-8,11-12,15H,2-6,9-10H2,1H3.
What are the key properties of N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 250.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107555832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).