5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

C17H33N3O — CID 106803296

IUPAC5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CCOC)C(C)C1CC1
InChIInChI=1S/C17H33N3O/c1-5-17(14-18,19-6-2)10-7-11-20(12-13-21-4)15(3)16-8-9-16/h15-16,19H,5-13H2,1-4H3
InChIKeyZGMSLRXDRKGNST-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.80
Rot. Bonds12

About 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106803296) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106803296
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CCOC)C(C)C1CC1
InChIInChI=1S/C17H33N3O/c1-5-17(14-18,19-6-2)10-7-11-20(12-13-21-4)15(3)16-8-9-16/h15-16,19H,5-13H2,1-4H3
InChIKeyZGMSLRXDRKGNST-UHFFFAOYSA-N
XLogP2.80
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
CID 106804405
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
CID 106805031
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
N-tert-butyl-N'-(1-cyclopropylethyl)-2-ethyl-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 62261018
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089014
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
2-ethyl-2-(ethylamino)-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanenitrile
CID 106804946

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (CID 106803296) is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCN(CCOC)C(C)C1CC1.
What is the InChIKey of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is ZGMSLRXDRKGNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-17(14-18,19-6-2)10-7-11-20(12-13-21-4)15(3)16-8-9-16/h15-16,19H,5-13H2,1-4H3.
What are the key properties of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 295.47 g/mol, XLogP of 2.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106803296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).