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

C13H25N3 — CID 79638951

IUPAC3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C(C)CC)C1
InChIInChI=1S/C13H25N3/c1-5-11(3)16(4)12-7-8-13(9-12,10-14)15-6-2/h11-12,15H,5-9H2,1-4H3
InChIKeyYEFNBZHYXZWHCJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.14
Rot. Bonds5

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

3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79638951) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79638951
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(N(C)C(C)CC)C1
InChIInChI=1S/C13H25N3/c1-5-11(3)16(4)12-7-8-13(9-12,10-14)15-6-2/h11-12,15H,5-9H2,1-4H3
InChIKeyYEFNBZHYXZWHCJ-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 79625121
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carbonitrile
CID 79638847
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252
3-[methyl(pentan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638696
1-(ethylamino)-3-[methyl-(4-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79639067
3-[3-(dimethylamino)propyl-methylamino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639177
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179
1-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 79638563
3-[ethyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639608
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carbonitrile
CID 79639770

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79638951) is 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(N(C)C(C)CC)C1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is YEFNBZHYXZWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(3)16(4)12-7-8-13(9-12,10-14)15-6-2/h11-12,15H,5-9H2,1-4H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile?
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79638951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).