2-(2-thiophen-2-ylcycloheptyl)propan-1-amine

C14H23NS — CID 82243482

IUPAC2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
SMILESCC(CN)C1CCCCCC1c1cccs1
InChIInChI=1S/C14H23NS/c1-11(10-15)12-6-3-2-4-7-13(12)14-8-5-9-16-14/h5,8-9,11-13H,2-4,6-7,10,15H2,1H3
InChIKeyMKWONOJCRZWALQ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.01
Rot. Bonds3

About 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine

2-(2-thiophen-2-ylcycloheptyl)propan-1-amine (PubChem CID 82243482) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
PubChem CID82243482
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
SMILESCC(CN)C1CCCCCC1c1cccs1
InChIInChI=1S/C14H23NS/c1-11(10-15)12-6-3-2-4-7-13(12)14-8-5-9-16-14/h5,8-9,11-13H,2-4,6-7,10,15H2,1H3
InChIKeyMKWONOJCRZWALQ-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886
2-(2-thiophen-2-ylcyclohexyl)propanoic acid
CID 82243540
2-[2-(4-methylphenyl)cycloheptyl]propan-1-amine
CID 82244196
(2-thiophen-2-ylcyclopentyl)methanamine
CID 81010672
2-(2-thiophen-2-ylcycloheptyl)acetonitrile
CID 82242115
1-(2-thiophen-2-ylcyclopropyl)ethanol
CID 53275688
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
2-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 79014995
cis-(1R,2S)-2-thiophen-2-ylcyclopropan-1-amine
CID 28901769
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine?
The IUPAC name of 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine (CID 82243482) is 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine.
What is the SMILES notation for 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine?
The canonical SMILES for 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine is CC(CN)C1CCCCCC1c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine?
The InChIKey is MKWONOJCRZWALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(10-15)12-6-3-2-4-7-13(12)14-8-5-9-16-14/h5,8-9,11-13H,2-4,6-7,10,15H2,1H3.
What are the key properties of 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine?
2-(2-thiophen-2-ylcycloheptyl)propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylcycloheptyl)propan-1-amine is sourced from PubChem (CID 82243482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).