formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen

C9H22N2O — CID 143115305

IUPACformaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
SMILESC=O.CNCCCN1CCCC1.[H][H]
InChIInChI=1S/C8H18N2.CH2O.H2/c1-9-5-4-8-10-6-2-3-7-10;1-2;/h9H,2-8H2,1H3;1H2;1H
InChIKeyVNMUVBCZVNHPBG-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.75
Rot. Bonds4

About formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen

formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen (PubChem CID 143115305) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameformaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
PubChem CID143115305
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameformaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
SMILESC=O.CNCCCN1CCCC1.[H][H]
InChIInChI=1S/C8H18N2.CH2O.H2/c1-9-5-4-8-10-6-2-3-7-10;1-2;/h9H,2-8H2,1H3;1H2;1H
InChIKeyVNMUVBCZVNHPBG-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen?
The IUPAC name of formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen (CID 143115305) is formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen?
The canonical SMILES for formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen is C=O.CNCCCN1CCCC1.[H][H].
What is the InChIKey of formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen?
The InChIKey is VNMUVBCZVNHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.CH2O.H2/c1-9-5-4-8-10-6-2-3-7-10;1-2;/h9H,2-8H2,1H3;1H2;1H.
What are the key properties of formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen?
formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen has a molecular weight of 174.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 143115305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).