N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride

C12H22Cl2N2S — CID 67665963

IUPACN-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
SMILESCC(C)Nc1ccc(CN2CCCC2)s1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-10(2)13-12-6-5-11(15-12)9-14-7-3-4-8-14;;/h5-6,10,13H,3-4,7-9H2,1-2H3;2*1H
InChIKeyNXTJJDPAFCOXNP-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.01
Rot. Bonds4

About N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride

N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride (PubChem CID 67665963) has the molecular formula C12H22Cl2N2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
PubChem CID67665963
Molecular FormulaC12H22Cl2N2S
Molecular Weight297.30 g/mol
Exact Mass296.09
IUPAC NameN-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride
SMILESCC(C)Nc1ccc(CN2CCCC2)s1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-10(2)13-12-6-5-11(15-12)9-14-7-3-4-8-14;;/h5-6,10,13H,3-4,7-9H2,1-2H3;2*1H
InChIKeyNXTJJDPAFCOXNP-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The IUPAC name of N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride (CID 67665963) is N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride.
What is the SMILES notation for N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The canonical SMILES for N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride is CC(C)Nc1ccc(CN2CCCC2)s1.Cl.Cl.
What is the InChIKey of N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
The InChIKey is NXTJJDPAFCOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.2ClH/c1-10(2)13-12-6-5-11(15-12)9-14-7-3-4-8-14;;/h5-6,10,13H,3-4,7-9H2,1-2H3;2*1H.
What are the key properties of N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride?
N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride has a molecular weight of 297.30 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(pyrrolidin-1-ylmethyl)thiophen-2-amine;dihydrochloride is sourced from PubChem (CID 67665963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).