N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine

C14H22N2S — CID 79488069

IUPACN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1CC2CCC1N2
InChIInChI=1S/C14H22N2S/c1-16(7-6-13-3-2-8-17-13)10-11-9-12-4-5-14(11)15-12/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3
InChIKeyUHQAQPLTUYYQSV-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.36
Rot. Bonds5

About N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine

N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 79488069) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID79488069
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1CC2CCC1N2
InChIInChI=1S/C14H22N2S/c1-16(7-6-13-3-2-8-17-13)10-11-9-12-4-5-14(11)15-12/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3
InChIKeyUHQAQPLTUYYQSV-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 54241547
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine (CID 79488069) is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)CC1CC2CCC1N2.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is UHQAQPLTUYYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16(7-6-13-3-2-8-17-13)10-11-9-12-4-5-14(11)15-12/h2-3,8,11-12,14-15H,4-7,9-10H2,1H3.
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine?
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79488069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).