4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine

C14H24N2S — CID 79056548

IUPAC4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
SMILESCC(C)(C(N)CCc1cccs1)N1CCCC1
InChIInChI=1S/C14H24N2S/c1-14(2,16-9-3-4-10-16)13(15)8-7-12-6-5-11-17-12/h5-6,11,13H,3-4,7-10,15H2,1-2H3
InChIKeyFUBFGHHAQKVXDG-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.88
Rot. Bonds5

About 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine

4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine (PubChem CID 79056548) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
PubChem CID79056548
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
SMILESCC(C)(C(N)CCc1cccs1)N1CCCC1
InChIInChI=1S/C14H24N2S/c1-14(2,16-9-3-4-10-16)13(15)8-7-12-6-5-11-17-12/h5-6,11,13H,3-4,7-10,15H2,1-2H3
InChIKeyFUBFGHHAQKVXDG-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79068401
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897
1-(1-pyrrolidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79057434
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79059762
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79823502
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643281
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine?
The IUPAC name of 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine (CID 79056548) is 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine?
The canonical SMILES for 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine is CC(C)(C(N)CCc1cccs1)N1CCCC1.
What is the InChIKey of 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine?
The InChIKey is FUBFGHHAQKVXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,16-9-3-4-10-16)13(15)8-7-12-6-5-11-17-12/h5-6,11,13H,3-4,7-10,15H2,1-2H3.
What are the key properties of 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine?
4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine has a molecular weight of 252.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 79056548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).