2-(3-propan-2-yloxypropylamino)acetonitrile

C8H16N2O — CID 94826859

IUPAC2-(3-propan-2-yloxypropylamino)acetonitrile
SMILESCC(C)OCCCNCC#N
InChIInChI=1S/C8H16N2O/c1-8(2)11-7-3-5-10-6-4-9/h8,10H,3,5-7H2,1-2H3
InChIKeyCZBYTPNWFJDILA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds6

About 2-(3-propan-2-yloxypropylamino)acetonitrile

2-(3-propan-2-yloxypropylamino)acetonitrile (PubChem CID 94826859) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(3-propan-2-yloxypropylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-propan-2-yloxypropylamino)acetonitrile
PubChem CID94826859
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(3-propan-2-yloxypropylamino)acetonitrile
SMILESCC(C)OCCCNCC#N
InChIInChI=1S/C8H16N2O/c1-8(2)11-7-3-5-10-6-4-9/h8,10H,3,5-7H2,1-2H3
InChIKeyCZBYTPNWFJDILA-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
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

3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
4-(cyanomethylamino)butanenitrile
CID 91395805
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
2-(3-butoxypropylamino)acetonitrile
CID 115577389
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
3-(4-propan-2-yloxybutylamino)pentanenitrile
CID 106010161
N-[3-[dimethoxy(methyl)silyl]propyl]-3-propan-2-yloxypropan-1-amine
CID 142737697
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N-[2-(3-methoxypropylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 63857445
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yloxypropylamino)acetonitrile?
The IUPAC name of 2-(3-propan-2-yloxypropylamino)acetonitrile (CID 94826859) is 2-(3-propan-2-yloxypropylamino)acetonitrile.
What is the SMILES notation for 2-(3-propan-2-yloxypropylamino)acetonitrile?
The canonical SMILES for 2-(3-propan-2-yloxypropylamino)acetonitrile is CC(C)OCCCNCC#N.
What is the InChIKey of 2-(3-propan-2-yloxypropylamino)acetonitrile?
The InChIKey is CZBYTPNWFJDILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)11-7-3-5-10-6-4-9/h8,10H,3,5-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-yloxypropylamino)acetonitrile?
2-(3-propan-2-yloxypropylamino)acetonitrile has a molecular weight of 156.23 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yloxypropylamino)acetonitrile is sourced from PubChem (CID 94826859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).