2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile

C8H17N3O — CID 63010066

IUPAC2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
SMILESCOCCCN(C)CC(N)C#N
InChIInChI=1S/C8H17N3O/c1-11(4-3-5-12-2)7-8(10)6-9/h8H,3-5,7,10H2,1-2H3
InChIKeyBVXPHOUUIHOIEE-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.19
Rot. Bonds6

About 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile

2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile (PubChem CID 63010066) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
PubChem CID63010066
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
SMILESCOCCCN(C)CC(N)C#N
InChIInChI=1S/C8H17N3O/c1-11(4-3-5-12-2)7-8(10)6-9/h8H,3-5,7,10H2,1-2H3
InChIKeyBVXPHOUUIHOIEE-UHFFFAOYSA-N
XLogP-0.19
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63009708
3-[2-(3-methoxypropoxy)ethyl-methylamino]-2-methylpropanenitrile
CID 103179685
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 104746059
2-amino-4-(3-methoxypropoxy)butanenitrile
CID 63028773
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
CID 79814662
3-[3-methoxypropyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63009526
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
2-amino-3-[3-(2-methoxyethoxy)propoxy]propanenitrile
CID 103404541
2-amino-3-[2-(2-methoxyethoxy)ethoxy]propanenitrile
CID 104564901

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile?
The IUPAC name of 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile (CID 63010066) is 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile.
What is the SMILES notation for 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile?
The canonical SMILES for 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile is COCCCN(C)CC(N)C#N.
What is the InChIKey of 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile?
The InChIKey is BVXPHOUUIHOIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(4-3-5-12-2)7-8(10)6-9/h8H,3-5,7,10H2,1-2H3.
What are the key properties of 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile?
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile has a molecular weight of 171.24 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile is sourced from PubChem (CID 63010066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).