trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine

C13H21NS — CID 10609150

IUPACtrans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine
SMILESCCCN(CCC)[C@H]1C[C@@H]1c1cccs1
InChIInChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyHKWCDGQNESCBNT-RYUDHWBXSA-N
MW223.38 g/mol
LogP3.73
Rot. Bonds6

About trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine

trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine (PubChem CID 10609150) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine
PubChem CID10609150
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Nametrans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine
SMILESCCCN(CCC)[C@H]1C[C@@H]1c1cccs1
InChIInChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3/t11-,12-/m0/s1
InChIKeyHKWCDGQNESCBNT-RYUDHWBXSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine (CID 10609150) is trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine is CCCN(CCC)[C@H]1C[C@@H]1c1cccs1.
What is the InChIKey of trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine?
The InChIKey is HKWCDGQNESCBNT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-7-14(8-4-2)12-10-11(12)13-6-5-9-15-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine?
trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N-dipropyl-2-thiophen-2-ylcyclopropan-1-amine is sourced from PubChem (CID 10609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).