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

C17H31N3 — CID 79565740

IUPAC2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)C1CC1
InChIInChI=1S/C17H31N3/c1-4-11-20(16-7-8-16)12-9-15-6-5-10-17(15,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3
InChIKeyWBNJXEPPAXYRTB-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.31
Rot. Bonds8

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

2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79565740) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79565740
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)C1CC1
InChIInChI=1S/C17H31N3/c1-4-11-20(16-7-8-16)12-9-15-6-5-10-17(15,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3
InChIKeyWBNJXEPPAXYRTB-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576141
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-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79573474
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
2-(2-pentan-2-yloxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 102983481
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79640038
[2-[2-[butyl(cyclopropyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567491
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79565740) is 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCCN(CCC1CCCC1(C#N)NC(C)C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is WBNJXEPPAXYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-11-20(16-7-8-16)12-9-15-6-5-10-17(15,13-18)19-14(2)3/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).