1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile

C14H23N5 — CID 79639172

IUPAC1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H23N5/c1-4-17-14(11-15)6-5-12(9-14)19(3)10-13-16-7-8-18(13)2/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyOHUHHNPKZVBERN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.28
Rot. Bonds5

About 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile

1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile (PubChem CID 79639172) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
PubChem CID79639172
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)Cc2nccn2C)C1
InChIInChI=1S/C14H23N5/c1-4-17-14(11-15)6-5-12(9-14)19(3)10-13-16-7-8-18(13)2/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyOHUHHNPKZVBERN-UHFFFAOYSA-N
XLogP1.28
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
methyl 1-(methylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carboxylate
CID 79651560
2-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cycloheptane-1,2-diamine
CID 63013410
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclohexane-1-carbonitrile
CID 79625295
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptan-1-ol
CID 63026805
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentan-1-one
CID 79643169
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
1-N,3,3-trimethyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1,2-diamine
CID 79859996
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-(ethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79638333

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile (CID 79639172) is 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)Cc2nccn2C)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is OHUHHNPKZVBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-17-14(11-15)6-5-12(9-14)19(3)10-13-16-7-8-18(13)2/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile?
1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 261.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).