2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C17H33N3 — CID 79573474

IUPAC2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCC(C)(C)N(C)CCC1CCCC1(C#N)NC(C)C
InChIInChI=1S/C17H33N3/c1-7-16(4,5)20(6)12-10-15-9-8-11-17(15,13-18)19-14(2)3/h14-15,19H,7-12H2,1-6H3
InChIKeyIOKPQNGNXBJSND-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.56
Rot. Bonds7

About 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79573474) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79573474
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCC(C)(C)N(C)CCC1CCCC1(C#N)NC(C)C
InChIInChI=1S/C17H33N3/c1-7-16(4,5)20(6)12-10-15-9-8-11-17(15,13-18)19-14(2)3/h14-15,19H,7-12H2,1-6H3
InChIKeyIOKPQNGNXBJSND-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565740
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576141
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-[2-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79565582
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79573474) is 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCC(C)(C)N(C)CCC1CCCC1(C#N)NC(C)C.
What is the InChIKey of 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is IOKPQNGNXBJSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-16(4,5)20(6)12-10-15-9-8-11-17(15,13-18)19-14(2)3/h14-15,19H,7-12H2,1-6H3.
What are the key properties of 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 279.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).