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

C14H27N3O2 — CID 63913780

IUPAC3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CCOC)CCOC)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-16-14(11-15,13-5-6-13)12-17(7-9-18-2)8-10-19-3/h13,16H,4-10,12H2,1-3H3
InChIKeyKLSVJNXDXIJTGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.86
Rot. Bonds11

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

3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (PubChem CID 63913780) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
PubChem CID63913780
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN(CCOC)CCOC)C1CC1
InChIInChI=1S/C14H27N3O2/c1-4-16-14(11-15,13-5-6-13)12-17(7-9-18-2)8-10-19-3/h13,16H,4-10,12H2,1-3H3
InChIKeyKLSVJNXDXIJTGT-UHFFFAOYSA-N
XLogP0.86
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63913568
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 107870923
2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
CID 103179775
2-cyclopropyl-3-[3-(dimethylamino)propyl-methylamino]-2-(ethylamino)propanenitrile
CID 63907930
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propanenitrile
CID 63912492
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanamide
CID 63911477
2-cyclopropyl-3-[cyclopropyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 63912692
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanenitrile
CID 63906273
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanenitrile
CID 63912025
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile (CID 63913780) is 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile is CCNC(C#N)(CN(CCOC)CCOC)C1CC1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
The InChIKey is KLSVJNXDXIJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-16-14(11-15,13-5-6-13)12-17(7-9-18-2)8-10-19-3/h13,16H,4-10,12H2,1-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile?
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile has a molecular weight of 269.39 g/mol, XLogP of 0.86, 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-(ethylamino)propanenitrile is sourced from PubChem (CID 63913780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).