1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

C15H31N3 — CID 83114104

IUPAC1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNCC1CCN(CC2(N(C)C)CCCC2)C1
InChIInChI=1S/C15H31N3/c1-4-16-11-14-7-10-18(12-14)13-15(17(2)3)8-5-6-9-15/h14,16H,4-13H2,1-3H3
InChIKeyFFQCQHHZIHQNFU-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83114104) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83114104
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNCC1CCN(CC2(N(C)C)CCCC2)C1
InChIInChI=1S/C15H31N3/c1-4-16-11-14-7-10-18(12-14)13-15(17(2)3)8-5-6-9-15/h14,16H,4-13H2,1-3H3
InChIKeyFFQCQHHZIHQNFU-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83114104) is 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is CCNCC1CCN(CC2(N(C)C)CCCC2)C1.
What is the InChIKey of 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is FFQCQHHZIHQNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-16-11-14-7-10-18(12-14)13-15(17(2)3)8-5-6-9-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylaminomethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83114104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).