1-cycloheptyl-3-thiophen-2-ylpropan-2-amine

C14H23NS — CID 114458094

IUPAC1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CCCCCC1
InChIInChI=1S/C14H23NS/c15-13(11-14-8-5-9-16-14)10-12-6-3-1-2-4-7-12/h5,8-9,12-13H,1-4,6-7,10-11,15H2
InChIKeyQOBDEMKVCAOISU-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.98
Rot. Bonds4

About 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine

1-cycloheptyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 114458094) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
PubChem CID114458094
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
SMILESNC(Cc1cccs1)CC1CCCCCC1
InChIInChI=1S/C14H23NS/c15-13(11-14-8-5-9-16-14)10-12-6-3-1-2-4-7-12/h5,8-9,12-13H,1-4,6-7,10-11,15H2
InChIKeyQOBDEMKVCAOISU-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626
1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030739
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-cyclopentyl-3-(furan-2-yl)propan-2-amine
CID 105029465
1-cyclohexyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 105014924
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861303
1-cyclopentyl-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 103157774
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine (CID 114458094) is 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine is NC(Cc1cccs1)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is QOBDEMKVCAOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c15-13(11-14-8-5-9-16-14)10-12-6-3-1-2-4-7-12/h5,8-9,12-13H,1-4,6-7,10-11,15H2.
What are the key properties of 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine?
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 114458094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).