N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine

C15H24N2S — CID 107557088

IUPACN-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
SMILESc1cc(CNC2CC2)sc1CCCCNC1CC1
InChIInChI=1S/C15H24N2S/c1(2-10-16-12-4-5-12)3-14-8-9-15(18-14)11-17-13-6-7-13/h8-9,12-13,16-17H,1-7,10-11H2
InChIKeyVPGVGCSUAAGGLU-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.07
Rot. Bonds9

About N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine

N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine (PubChem CID 107557088) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
PubChem CID107557088
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
SMILESc1cc(CNC2CC2)sc1CCCCNC1CC1
InChIInChI=1S/C15H24N2S/c1(2-10-16-12-4-5-12)3-14-8-9-15(18-14)11-17-13-6-7-13/h8-9,12-13,16-17H,1-7,10-11H2
InChIKeyVPGVGCSUAAGGLU-UHFFFAOYSA-N
XLogP3.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[4-[2-[(cyclopropylamino)methyl]furan-3-yl]butyl]cyclopropanamine
CID 66324064
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
CID 106906810
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337536
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine (CID 107557088) is N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine is c1cc(CNC2CC2)sc1CCCCNC1CC1.
What is the InChIKey of N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine?
The InChIKey is VPGVGCSUAAGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1(2-10-16-12-4-5-12)3-14-8-9-15(18-14)11-17-13-6-7-13/h8-9,12-13,16-17H,1-7,10-11H2.
What are the key properties of N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine?
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine has a molecular weight of 264.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine is sourced from PubChem (CID 107557088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).