N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C17H25NS — CID 63775029

IUPACN-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESc1csc(CCC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C17H25NS/c1-2-16(19-9-1)7-8-17(12-18-15-5-6-15)11-13-3-4-14(17)10-13/h1-2,9,13-15,18H,3-8,10-12H2
InChIKeyZVQDCOQVRFNSHZ-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.24
Rot. Bonds6

About N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 63775029) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID63775029
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC NameN-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESc1csc(CCC2(CNC3CC3)CC3CCC2C3)c1
InChIInChI=1S/C17H25NS/c1-2-16(19-9-1)7-8-17(12-18-15-5-6-15)11-13-3-4-14(17)10-13/h1-2,9,13-15,18H,3-8,10-12H2
InChIKeyZVQDCOQVRFNSHZ-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63775207
2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522182
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521653
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103014457
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
CID 65153793
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 63775029) is N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is c1csc(CCC2(CNC3CC3)CC3CCC2C3)c1.
What is the InChIKey of N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is ZVQDCOQVRFNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-2-16(19-9-1)7-8-17(12-18-15-5-6-15)11-13-3-4-14(17)10-13/h1-2,9,13-15,18H,3-8,10-12H2.
What are the key properties of N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 275.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 63775029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).