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

C15H26N2S — CID 79069924

IUPACN,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccsc1)C1(N(C)C)CCCC1
InChIInChI=1S/C15H26N2S/c1-4-10-16-14(13-7-11-18-12-13)15(17(2)3)8-5-6-9-15/h7,11-12,14,16H,4-6,8-10H2,1-3H3
InChIKeyGNAASRXUEMEDTH-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.66
Rot. Bonds6

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

N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (PubChem CID 79069924) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
PubChem CID79069924
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccsc1)C1(N(C)C)CCCC1
InChIInChI=1S/C15H26N2S/c1-4-10-16-14(13-7-11-18-12-13)15(17(2)3)8-5-6-9-15/h7,11-12,14,16H,4-6,8-10H2,1-3H3
InChIKeyGNAASRXUEMEDTH-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79070431
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79070422
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 116768916
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine (CID 79069924) is N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is CCCNC(c1ccsc1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is GNAASRXUEMEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-10-16-14(13-7-11-18-12-13)15(17(2)3)8-5-6-9-15/h7,11-12,14,16H,4-6,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79069924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).