N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C23H54N8 — CID 162222118

IUPACN,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNC1CCN(C)C1.CNCCCN1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C8H19N3.C6H14N2/c1-10-4-3-5-12-8-6-11(2)7-9-12;1-9-3-4-11-7-5-10(2)6-8-11;1-7-6-3-4-8(2)5-6/h10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyZUGMYOMQAUCMLU-UHFFFAOYSA-N
MW442.74 g/mol
LogP-0.79
Rot. Bonds8

About N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 162222118) has the molecular formula C23H54N8 and a molecular weight of 442.74 g/mol. Its IUPAC name is N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID162222118
Molecular FormulaC23H54N8
Molecular Weight442.74 g/mol
Exact Mass442.45
IUPAC NameN,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNC1CCN(C)C1.CNCCCN1CCN(C)CC1.CNCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.C8H19N3.C6H14N2/c1-10-4-3-5-12-8-6-11(2)7-9-12;1-9-3-4-11-7-5-10(2)6-8-11;1-7-6-3-4-8(2)5-6/h10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyZUGMYOMQAUCMLU-UHFFFAOYSA-N
XLogP-0.79
TPSA52.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.74
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine with MolForge

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Related Compounds

ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
N-methyl-4-(1-methylpiperidin-4-yl)butan-1-amine
CID 83817392
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 12761702
N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
CID 177055250
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
N-(cyclopentylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 62069634
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 162222118) is N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CNC1CCN(C)C1.CNCCCN1CCN(C)CC1.CNCCN1CCN(C)CC1.
What is the InChIKey of N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is ZUGMYOMQAUCMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.C8H19N3.C6H14N2/c1-10-4-3-5-12-8-6-11(2)7-9-12;1-9-3-4-11-7-5-10(2)6-8-11;1-7-6-3-4-8(2)5-6/h10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 442.74 g/mol, XLogP of -0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 162222118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).