2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

C15H27N3 — CID 79565829

IUPAC2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC)C1CC1
InChIInChI=1S/C15H27N3/c1-3-17-15(12-16)10-5-6-13(15)9-11-18(4-2)14-7-8-14/h13-14,17H,3-11H2,1-2H3
InChIKeyOBXWSRVXLSEGOT-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds7

About 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79565829) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79565829
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC)C1CC1
InChIInChI=1S/C15H27N3/c1-3-17-15(12-16)10-5-6-13(15)9-11-18(4-2)14-7-8-14/h13-14,17H,3-11H2,1-2H3
InChIKeyOBXWSRVXLSEGOT-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79565829) is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCN(CC)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is OBXWSRVXLSEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-17-15(12-16)10-5-6-13(15)9-11-18(4-2)14-7-8-14/h13-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).