2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile

C12H20N2O2 — CID 62383789

IUPAC2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile
SMILESN#CC(COCC1CCOCC1)NC1CC1
InChIInChI=1S/C12H20N2O2/c13-7-12(14-11-1-2-11)9-16-8-10-3-5-15-6-4-10/h10-12,14H,1-6,8-9H2
InChIKeyIPBXEIIBUGZDIH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.07
Rot. Bonds6

About 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile

2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile (PubChem CID 62383789) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile
PubChem CID62383789
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile
SMILESN#CC(COCC1CCOCC1)NC1CC1
InChIInChI=1S/C12H20N2O2/c13-7-12(14-11-1-2-11)9-16-8-10-3-5-15-6-4-10/h10-12,14H,1-6,8-9H2
InChIKeyIPBXEIIBUGZDIH-UHFFFAOYSA-N
XLogP1.07
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylmethoxy)-2-(cyclopropylamino)propanenitrile
CID 66321820
2-(cyclopropylamino)-4-(oxan-4-ylmethoxy)butanenitrile
CID 63054921
2-(cyclopropylamino)-3-(oxolan-3-yloxy)propanenitrile
CID 63557093
2-amino-4-(oxan-4-ylmethoxy)butanenitrile
CID 63055278
1-(oxan-4-ylmethoxy)butan-2-ol
CID 62383429
4-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)butanenitrile
CID 63055439
2-(cyclopropylamino)-4-(oxan-2-ylmethoxy)butanenitrile
CID 63029177
N-[[2-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62484757
4-(chloromethoxymethyl)oxane
CID 79530199
2-amino-3-(oxan-4-ylmethoxy)propanamide
CID 62384328
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
2-(oxan-4-ylmethoxymethyl)butane-1-sulfonamide
CID 64998872

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile (CID 62383789) is 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile is N#CC(COCC1CCOCC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile?
The InChIKey is IPBXEIIBUGZDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-7-12(14-11-1-2-11)9-16-8-10-3-5-15-6-4-10/h10-12,14H,1-6,8-9H2.
What are the key properties of 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile?
2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile has a molecular weight of 224.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(oxan-4-ylmethoxy)propanenitrile is sourced from PubChem (CID 62383789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).