3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

C15H27N3O2 — CID 63913568

IUPAC3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCOCCN(CCOC)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-19-9-7-18(8-10-20-2)12-15(11-16,13-3-4-13)17-14-5-6-14/h13-14,17H,3-10,12H2,1-2H3
InChIKeyOARVAQXQNUZQEV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.01
Rot. Bonds11

About 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile

3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (PubChem CID 63913568) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
PubChem CID63913568
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
SMILESCOCCN(CCOC)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H27N3O2/c1-19-9-7-18(8-10-20-2)12-15(11-16,13-3-4-13)17-14-5-6-14/h13-14,17H,3-10,12H2,1-2H3
InChIKeyOARVAQXQNUZQEV-UHFFFAOYSA-N
XLogP1.01
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913780
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
CID 63912235
3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913080
2-cyclopropyl-2-(cyclopropylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]propanenitrile
CID 63912887
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
2-cyclopropyl-2-(cyclopropylamino)-3-(N,3,5-trimethylanilino)propanenitrile
CID 63914454
3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907116
2-cyclopropyl-1-N,1-N-bis(2-methoxyethyl)propane-1,2-diamine
CID 61418836
N'-cyclopropyl-N,N-bis(2-methoxyethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259169
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile (CID 63913568) is 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is COCCN(CCOC)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
The InChIKey is OARVAQXQNUZQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-19-9-7-18(8-10-20-2)12-15(11-16,13-3-4-13)17-14-5-6-14/h13-14,17H,3-10,12H2,1-2H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile?
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile has a molecular weight of 281.40 g/mol, XLogP of 1.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile is sourced from PubChem (CID 63913568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).