N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine

C17H30N2S — CID 79070431

IUPACN,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccsc1)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H30N2S/c1-4-12-18-16(15-9-13-20-14-15)17(10-7-8-11-17)19(5-2)6-3/h9,13-14,16,18H,4-8,10-12H2,1-3H3
InChIKeyWEFDEEPEHQLAKQ-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.44
Rot. Bonds8

About N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine

N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (PubChem CID 79070431) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
PubChem CID79070431
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccsc1)C1(N(CC)CC)CCCC1
InChIInChI=1S/C17H30N2S/c1-4-12-18-16(15-9-13-20-14-15)17(10-7-8-11-17)19(5-2)6-3/h9,13-14,16,18H,4-8,10-12H2,1-3H3
InChIKeyWEFDEEPEHQLAKQ-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79070422
N,N-diethyl-1-[furan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 79070351
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 116768916
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
1-[2,3-dihydrofuran-5-yl(propylamino)methyl]-N,N-diethylcyclopentan-1-amine
CID 102651843
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
N,N-diethyl-1-[2-methyl-1-(propylamino)propyl]cyclopentan-1-amine
CID 79069888
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
CID 79070190
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (CID 79070431) is N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is CCCNC(c1ccsc1)C1(N(CC)CC)CCCC1.
What is the InChIKey of N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is WEFDEEPEHQLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-12-18-16(15-9-13-20-14-15)17(10-7-8-11-17)19(5-2)6-3/h9,13-14,16,18H,4-8,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79070431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).