methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium

C10H22N2 — CID 23545715

IUPACmethanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
SMILES[CH2-][NH2+]CCCN1CCCCC1C
InChIInChI=1S/C10H22N2/c1-10-6-3-4-8-12(10)9-5-7-11-2/h10H,2-9,11H2,1H3
InChIKeyDSKBAXCTCOIHOA-UHFFFAOYSA-N
MW170.30 g/mol
LogP0.61
Rot. Bonds4

About methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium

methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium (PubChem CID 23545715) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium.

Molecular Properties

Compound Namemethanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
PubChem CID23545715
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namemethanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium
SMILES[CH2-][NH2+]CCCN1CCCCC1C
InChIInChI=1S/C10H22N2/c1-10-6-3-4-8-12(10)9-5-7-11-2/h10H,2-9,11H2,1H3
InChIKeyDSKBAXCTCOIHOA-UHFFFAOYSA-N
XLogP0.61
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromopropyl)-2-methylpiperidine;hydrobromide
CID 71320292
2-methyl-1-pentylazepane
CID 134994557
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
3-(2-methylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 102548986
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
1-methyl-4-[3-[3-[3-(2-methylpiperidin-1-yl)propyl]imidazolidin-1-yl]propyl]piperazine
CID 69465572

Frequently Asked Questions

What is the IUPAC name of methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium?
The IUPAC name of methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium (CID 23545715) is methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium.
What is the SMILES notation for methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium?
The canonical SMILES for methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium is [CH2-][NH2+]CCCN1CCCCC1C.
What is the InChIKey of methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium?
The InChIKey is DSKBAXCTCOIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10-6-3-4-8-12(10)9-5-7-11-2/h10H,2-9,11H2,1H3.
What are the key properties of methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium?
methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium has a molecular weight of 170.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[3-(2-methylpiperidin-1-yl)propyl]azanium is sourced from PubChem (CID 23545715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).