4-[3-(methylamino)propyl]morpholine-2-carbonitrile

C9H17N3O — CID 79681736

IUPAC4-[3-(methylamino)propyl]morpholine-2-carbonitrile
SMILESCNCCCN1CCOC(C#N)C1
InChIInChI=1S/C9H17N3O/c1-11-3-2-4-12-5-6-13-9(7-10)8-12/h9,11H,2-6,8H2,1H3
InChIKeyICIOYRTUBBIXAU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.18
Rot. Bonds4

About 4-[3-(methylamino)propyl]morpholine-2-carbonitrile

4-[3-(methylamino)propyl]morpholine-2-carbonitrile (PubChem CID 79681736) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]morpholine-2-carbonitrile
PubChem CID79681736
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-[3-(methylamino)propyl]morpholine-2-carbonitrile
SMILESCNCCCN1CCOC(C#N)C1
InChIInChI=1S/C9H17N3O/c1-11-3-2-4-12-5-6-13-9(7-10)8-12/h9,11H,2-6,8H2,1H3
InChIKeyICIOYRTUBBIXAU-UHFFFAOYSA-N
XLogP-0.18
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(methylamino)propyl]morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxypropyl)morpholine-2-carbonitrile
CID 112734096
4-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]morpholine-2-carbonitrile
CID 104563060
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
CID 157048783
4-[2-(2-methoxyethoxy)ethyl]morpholine-2-carbonitrile
CID 79675052
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
CID 79674172
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
4-(2-phenylethyl)morpholine-2-carbonitrile
CID 79674801
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(methylamino)propyl]morpholine-2-carbonitrile (CID 79681736) is 4-[3-(methylamino)propyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(methylamino)propyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(methylamino)propyl]morpholine-2-carbonitrile is CNCCCN1CCOC(C#N)C1.
What is the InChIKey of 4-[3-(methylamino)propyl]morpholine-2-carbonitrile?
The InChIKey is ICIOYRTUBBIXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-3-2-4-12-5-6-13-9(7-10)8-12/h9,11H,2-6,8H2,1H3.
What are the key properties of 4-[3-(methylamino)propyl]morpholine-2-carbonitrile?
4-[3-(methylamino)propyl]morpholine-2-carbonitrile has a molecular weight of 183.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79681736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).