2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile

C11H20N2O — CID 65480947

IUPAC2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
SMILESCCOCCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-2-14-9-3-8-13-10-11(4-5-11)6-7-12/h13H,2-6,8-10H2,1H3
InChIKeyHHTCIKAPQQNZNK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.70
Rot. Bonds8

About 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65480947) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65480947
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile
SMILESCCOCCCNCC1(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-2-14-9-3-8-13-10-11(4-5-11)6-7-12/h13H,2-6,8-10H2,1H3
InChIKeyHHTCIKAPQQNZNK-UHFFFAOYSA-N
XLogP1.70
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
CID 106131749
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65497327
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
CID 113411333
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile (CID 65480947) is 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile is CCOCCCNCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is HHTCIKAPQQNZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-14-9-3-8-13-10-11(4-5-11)6-7-12/h13H,2-6,8-10H2,1H3.
What are the key properties of 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethoxypropylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).