2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

C17H31N3 — CID 79564870

IUPAC2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC1CC1)C(C)C
InChIInChI=1S/C17H31N3/c1-4-19-17(13-18)10-5-6-16(17)9-11-20(14(2)3)12-15-7-8-15/h14-16,19H,4-12H2,1-3H3
InChIKeyRRWCMVIUDDWZMB-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.17
Rot. Bonds8

About 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79564870) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79564870
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCN(CC1CC1)C(C)C
InChIInChI=1S/C17H31N3/c1-4-19-17(13-18)10-5-6-16(17)9-11-20(14(2)3)12-15-7-8-15/h14-16,19H,4-12H2,1-3H3
InChIKeyRRWCMVIUDDWZMB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
1-(ethylamino)-2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565185
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-[2,2-dimethylpropyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565774
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576141
1-(ethylamino)-2-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79850591
[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79567218
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
2-[2-[3-(dimethylamino)propyl-ethylamino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 102996420
1-(ethylamino)-2-[2-(N-methylanilino)ethyl]cyclopentane-1-carbonitrile
CID 79565614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79564870) is 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCN(CC1CC1)C(C)C.
What is the InChIKey of 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is RRWCMVIUDDWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-19-17(13-18)10-5-6-16(17)9-11-20(14(2)3)12-15-7-8-15/h14-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 277.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79564870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).