3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one

C10H22N4O — CID 137454148

IUPAC3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCN(N)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C10H22N4O/c1-13(11)9-12-6-5-10(15)14-7-3-2-4-8-14/h12H,2-9,11H2,1H3
InChIKeyDQCOBVWHRFXETG-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.26
Rot. Bonds5

About 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one

3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 137454148) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID137454148
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCN(N)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C10H22N4O/c1-13(11)9-12-6-5-10(15)14-7-3-2-4-8-14/h12H,2-9,11H2,1H3
InChIKeyDQCOBVWHRFXETG-UHFFFAOYSA-N
XLogP-0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one 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

3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one (CID 137454148) is 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one is CN(N)CNCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DQCOBVWHRFXETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-13(11)9-12-6-5-10(15)14-7-3-2-4-8-14/h12H,2-9,11H2,1H3.
What are the key properties of 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one?
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 214.31 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 137454148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).