N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride

C13H22ClNS — CID 45259849

IUPACN,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1ccsc1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-3-6-14(7-4-2)13-9-12(13)11-5-8-15-10-11;/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3;1H
InChIKeyVGTRFLJIFMAKHN-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.15
Rot. Bonds6

About N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride

N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride (PubChem CID 45259849) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride
PubChem CID45259849
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC NameN,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1ccsc1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-3-6-14(7-4-2)13-9-12(13)11-5-8-15-10-11;/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3;1H
InChIKeyVGTRFLJIFMAKHN-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride (CID 45259849) is N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride is CCCN(CCC)C1CC1c1ccsc1.Cl.
What is the InChIKey of N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride?
The InChIKey is VGTRFLJIFMAKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS.ClH/c1-3-6-14(7-4-2)13-9-12(13)11-5-8-15-10-11;/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3;1H.
What are the key properties of N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride?
N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride has a molecular weight of 259.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45259849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).