2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile

C14H26N2O — CID 63906066

IUPAC2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
SMILESCCCCC(CC)COCC(N)(C#N)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-5-6-12(4-2)9-17-11-14(16,10-15)13-7-8-13/h12-13H,3-9,11,16H2,1-2H3
InChIKeyJFQBAFAFCSEPAB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.85
Rot. Bonds9

About 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile

2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile (PubChem CID 63906066) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
PubChem CID63906066
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
SMILESCCCCC(CC)COCC(N)(C#N)C1CC1
InChIInChI=1S/C14H26N2O/c1-3-5-6-12(4-2)9-17-11-14(16,10-15)13-7-8-13/h12-13H,3-9,11,16H2,1-2H3
InChIKeyJFQBAFAFCSEPAB-UHFFFAOYSA-N
XLogP2.85
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)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

2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
2-cyclopropyl-2-(ethylamino)-3-(2-ethylhexoxy)propanamide
CID 63919546
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
ethyl 2-cyclopropyl-3-(2-ethylhexoxy)-2-(methylamino)propanoate
CID 63919547
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
3-(2-ethylhexoxy)propanenitrile
CID 25053
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
3-(2-ethylhexoxy)-2-methylpropanenitrile
CID 43367482
2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82789681

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile (CID 63906066) is 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile is CCCCC(CC)COCC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile?
The InChIKey is JFQBAFAFCSEPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-6-12(4-2)9-17-11-14(16,10-15)13-7-8-13/h12-13H,3-9,11,16H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile?
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile is sourced from PubChem (CID 63906066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).