1-methanidyl-3-(2-methylpropyl)piperazine

C9H19N2- — CID 59704463

IUPAC1-methanidyl-3-(2-methylpropyl)piperazine
SMILES[CH2-]N1CCNC(CC(C)C)C1
InChIInChI=1S/C9H19N2/c1-8(2)6-9-7-11(3)5-4-10-9/h8-10H,3-7H2,1-2H3/q-1
InChIKeyFFSQONAPZNJOJF-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.10
Rot. Bonds2

About 1-methanidyl-3-(2-methylpropyl)piperazine

1-methanidyl-3-(2-methylpropyl)piperazine (PubChem CID 59704463) has the molecular formula C9H19N2- and a molecular weight of 155.26 g/mol. Its IUPAC name is 1-methanidyl-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-methanidyl-3-(2-methylpropyl)piperazine
PubChem CID59704463
Molecular FormulaC9H19N2-
Molecular Weight155.26 g/mol
Exact Mass155.16
IUPAC Name1-methanidyl-3-(2-methylpropyl)piperazine
SMILES[CH2-]N1CCNC(CC(C)C)C1
InChIInChI=1S/C9H19N2/c1-8(2)6-9-7-11(3)5-4-10-9/h8-10H,3-7H2,1-2H3/q-1
InChIKeyFFSQONAPZNJOJF-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
CID 469907
3-amino-N-ethylpiperidine
CID 98094
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Pentylpiperazine
CID 2737112
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
1-(Cyclobutylmethyl)piperazine
CID 952318
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
3-Methyl-1,4'-bipiperidine
CID 2760044

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-methanidyl-3-(2-methylpropyl)piperazine (CID 59704463) is 1-methanidyl-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-methanidyl-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-methanidyl-3-(2-methylpropyl)piperazine is [CH2-]N1CCNC(CC(C)C)C1.
What is the InChIKey of 1-methanidyl-3-(2-methylpropyl)piperazine?
The InChIKey is FFSQONAPZNJOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-8(2)6-9-7-11(3)5-4-10-9/h8-10H,3-7H2,1-2H3/q-1.
What are the key properties of 1-methanidyl-3-(2-methylpropyl)piperazine?
1-methanidyl-3-(2-methylpropyl)piperazine has a molecular weight of 155.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 59704463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).