3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C15H24N4 — CID 79638589

IUPAC3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C15H24N4/c1-4-7-18-15(11-16)6-5-13(10-15)19-9-8-17-14(19)12(2)3/h8-9,12-13,18H,4-7,10H2,1-3H3
InChIKeyIHTUTAZGGBTVCN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79638589) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79638589
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(n2ccnc2C(C)C)C1
InChIInChI=1S/C15H24N4/c1-4-7-18-15(11-16)6-5-13(10-15)19-9-8-17-14(19)12(2)3/h8-9,12-13,18H,4-7,10H2,1-3H3
InChIKeyIHTUTAZGGBTVCN-UHFFFAOYSA-N
XLogP2.99
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79638589) is 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(n2ccnc2C(C)C)C1.
What is the InChIKey of 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is IHTUTAZGGBTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-7-18-15(11-16)6-5-13(10-15)19-9-8-17-14(19)12(2)3/h8-9,12-13,18H,4-7,10H2,1-3H3.
What are the key properties of 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).