2-(2-methoxypropylamino)acetonitrile

C6H12N2O — CID 102697955

IUPAC2-(2-methoxypropylamino)acetonitrile
SMILESCOC(C)CNCC#N
InChIInChI=1S/C6H12N2O/c1-6(9-2)5-8-4-3-7/h6,8H,4-5H2,1-2H3
InChIKeyQFTUSNOJRDGKCZ-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.13
Rot. Bonds4

About 2-(2-methoxypropylamino)acetonitrile

2-(2-methoxypropylamino)acetonitrile (PubChem CID 102697955) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxypropylamino)acetonitrile
PubChem CID102697955
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-(2-methoxypropylamino)acetonitrile
SMILESCOC(C)CNCC#N
InChIInChI=1S/C6H12N2O/c1-6(9-2)5-8-4-3-7/h6,8H,4-5H2,1-2H3
InChIKeyQFTUSNOJRDGKCZ-UHFFFAOYSA-N
XLogP0.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
N-(2-fluoroethyl)-2-methoxypropan-1-amine
CID 102698074
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
6-chloro-N-(2-methoxypropyl)hexan-1-amine
CID 107845800
4-fluoro-3-[(2-methoxypropylamino)methyl]benzonitrile
CID 102698066
N-(2-methoxypropyl)-2-methylpropan-2-amine
CID 62446177
4-[(2-methoxypropylamino)methyl]cyclohexan-1-ol
CID 106133687
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)acetonitrile?
The IUPAC name of 2-(2-methoxypropylamino)acetonitrile (CID 102697955) is 2-(2-methoxypropylamino)acetonitrile.
What is the SMILES notation for 2-(2-methoxypropylamino)acetonitrile?
The canonical SMILES for 2-(2-methoxypropylamino)acetonitrile is COC(C)CNCC#N.
What is the InChIKey of 2-(2-methoxypropylamino)acetonitrile?
The InChIKey is QFTUSNOJRDGKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(9-2)5-8-4-3-7/h6,8H,4-5H2,1-2H3.
What are the key properties of 2-(2-methoxypropylamino)acetonitrile?
2-(2-methoxypropylamino)acetonitrile has a molecular weight of 128.18 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)acetonitrile is sourced from PubChem (CID 102697955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).