N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine

C17H30N2S — CID 79069127

IUPACN-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
SMILESCCNC(CCc1ccsc1)C(C)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-4-17(3,19-11-6-7-12-19)16(18-5-2)9-8-15-10-13-20-14-15/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyZVJXYMMSQOOMBF-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.92
Rot. Bonds8

About N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine

N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine (PubChem CID 79069127) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
PubChem CID79069127
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
SMILESCCNC(CCc1ccsc1)C(C)(CC)N1CCCC1
InChIInChI=1S/C17H30N2S/c1-4-17(3,19-11-6-7-12-19)16(18-5-2)9-8-15-10-13-20-14-15/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyZVJXYMMSQOOMBF-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
CID 79045793
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79064855
N,4-dimethyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-amine
CID 79051611
N-ethyl-1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-amine
CID 79059543
N-ethyl-3-thiophen-3-yl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105147842
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
N-ethyl-2-methyl-2-piperidin-1-yl-1-thiophen-3-ylpropan-1-amine
CID 79045109
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
CID 104736506
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine?
The IUPAC name of N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine (CID 79069127) is N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine?
The canonical SMILES for N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine is CCNC(CCc1ccsc1)C(C)(CC)N1CCCC1.
What is the InChIKey of N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine?
The InChIKey is ZVJXYMMSQOOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-17(3,19-11-6-7-12-19)16(18-5-2)9-8-15-10-13-20-14-15/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine?
N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine has a molecular weight of 294.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine is sourced from PubChem (CID 79069127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).