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

C18H33N3 — CID 79577792

IUPAC2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)CC1CC1
InChIInChI=1S/C18H33N3/c1-4-11-21(13-16-7-8-16)12-9-17-6-5-10-18(17,14-19)20-15(2)3/h15-17,20H,4-13H2,1-3H3
InChIKeyBRBKDXWFZLIKCR-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.56
Rot. Bonds9

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

2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79577792) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79577792
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCN(CCC1CCCC1(C#N)NC(C)C)CC1CC1
InChIInChI=1S/C18H33N3/c1-4-11-21(13-16-7-8-16)12-9-17-6-5-10-18(17,14-19)20-15(2)3/h15-17,20H,4-13H2,1-3H3
InChIKeyBRBKDXWFZLIKCR-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.56
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
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-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
1-(cyclopropylamino)-2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79573105
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870
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
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
2-[2-(1-ethoxypropan-2-yloxy)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 103489768
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79577792) is 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CCCN(CCC1CCCC1(C#N)NC(C)C)CC1CC1.
What is the InChIKey of 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is BRBKDXWFZLIKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-11-21(13-16-7-8-16)12-9-17-6-5-10-18(17,14-19)20-15(2)3/h15-17,20H,4-13H2,1-3H3.
What are the key properties of 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).