N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

C12H15NS — CID 43223238

IUPACN-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1cccs1
InChIInChI=1S/C12H15NS/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyJRQFIIYWJJRFPR-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.80
Rot. Bonds3

About N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43223238) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43223238
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC NameN-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1cccs1
InChIInChI=1S/C12H15NS/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2
InChIKeyJRQFIIYWJJRFPR-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726965
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 131154099
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65025495
N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61300238
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
2,2,5,5-tetramethyl-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 79918908
trans-(1R,2R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
CID 118584802

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43223238) is N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is JRQFIIYWJJRFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-3-9-7-12(11(9)5-1)13-8-10-4-2-6-14-10/h1-2,4-6,9,11-13H,3,7-8H2.
What are the key properties of N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 205.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43223238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).