2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile

C14H22N2O2 — CID 63906526

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile
SMILESN#CC(COCC1CCOC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H22N2O2/c15-9-14(12-1-2-12,16-13-3-4-13)10-18-8-11-5-6-17-7-11/h11-13,16H,1-8,10H2
InChIKeyJDJKQZPIMJOMRN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.46
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile (PubChem CID 63906526) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile
PubChem CID63906526
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile
SMILESN#CC(COCC1CCOC1)(NC1CC1)C1CC1
InChIInChI=1S/C14H22N2O2/c15-9-14(12-1-2-12,16-13-3-4-13)10-18-8-11-5-6-17-7-11/h11-13,16H,1-8,10H2
InChIKeyJDJKQZPIMJOMRN-UHFFFAOYSA-N
XLogP1.46
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907116
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
1-amino-2-cyclopropyl-3-(oxolan-3-ylmethoxy)propan-2-ol
CID 64819659
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylbutan-2-yloxy)propanenitrile
CID 63907748
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
4-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)butanenitrile
CID 63055439
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
CID 62384296
ethyl 2-cyclopropyl-2-(ethylamino)-3-(oxolan-3-ylmethoxy)propanoate
CID 63919336
2-cyclopropyl-2-(cyclopropylamino)-3-(3-ethylpyrrolidin-1-yl)propanenitrile
CID 113418576
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
CID 63905680

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile (CID 63906526) is 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile is N#CC(COCC1CCOC1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile?
The InChIKey is JDJKQZPIMJOMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-9-14(12-1-2-12,16-13-3-4-13)10-18-8-11-5-6-17-7-11/h11-13,16H,1-8,10H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile has a molecular weight of 250.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(oxolan-3-ylmethoxy)propanenitrile is sourced from PubChem (CID 63906526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).