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

C15H27N3 — CID 79565732

IUPAC2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(C)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)17-15(11-16)9-4-5-13(15)8-10-18(3)14-6-7-14/h12-14,17H,4-10H2,1-3H3
InChIKeyBAITZRRAIWRLFZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds6

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

2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79565732) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79565732
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(C)C1CC1
InChIInChI=1S/C15H27N3/c1-12(2)17-15(11-16)9-4-5-13(15)8-10-18(3)14-6-7-14/h12-14,17H,4-10H2,1-3H3
InChIKeyBAITZRRAIWRLFZ-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565740
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576141
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79573474
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
1-(methylamino)-2-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566158
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-(2-phenylsulfanylethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575836
2-[2-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576433
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79565732) is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCCC1CCN(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is BAITZRRAIWRLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)17-15(11-16)9-4-5-13(15)8-10-18(3)14-6-7-14/h12-14,17H,4-10H2,1-3H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).