1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine

C17H30N2S — CID 79068652

IUPAC1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCc1ccc(CC(NC)C(C)(CC)N2CCCC2)s1
InChIInChI=1S/C17H30N2S/c1-5-14-9-10-15(20-14)13-16(18-4)17(3,6-2)19-11-7-8-12-19/h9-10,16,18H,5-8,11-13H2,1-4H3
InChIKeyHSDXMIRPSFVVNP-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.71
Rot. Bonds7

About 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine

1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79068652) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79068652
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCc1ccc(CC(NC)C(C)(CC)N2CCCC2)s1
InChIInChI=1S/C17H30N2S/c1-5-14-9-10-15(20-14)13-16(18-4)17(3,6-2)19-11-7-8-12-19/h9-10,16,18H,5-8,11-13H2,1-4H3
InChIKeyHSDXMIRPSFVVNP-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-3-piperidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79065597
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
3-(azepan-1-yl)-1-(5-bromothiophen-2-yl)-N,3-dimethylbutan-2-amine
CID 79052539
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880
3-N,3-N,3-triethyl-1-(5-ethylthiophen-2-yl)-2-N-methylpentane-2,3-diamine
CID 79060124
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
1-(2-fluorophenyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 79057627
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79068652) is 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine is CCc1ccc(CC(NC)C(C)(CC)N2CCCC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is HSDXMIRPSFVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-14-9-10-15(20-14)13-16(18-4)17(3,6-2)19-11-7-8-12-19/h9-10,16,18H,5-8,11-13H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79068652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).