N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride

C9H22ClN3 — CID 167741784

IUPACN-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
SMILESCNCCCC1CNCCN1C.Cl
InChIInChI=1S/C9H21N3.ClH/c1-10-5-3-4-9-8-11-6-7-12(9)2;/h9-11H,3-8H2,1-2H3;1H
InChIKeyKVNXGBRGKIQZOS-UHFFFAOYSA-N
MW207.75 g/mol
LogP0.31
Rot. Bonds4

About N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride

N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride (PubChem CID 167741784) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
PubChem CID167741784
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC NameN-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride
SMILESCNCCCC1CNCCN1C.Cl
InChIInChI=1S/C9H21N3.ClH/c1-10-5-3-4-9-8-11-6-7-12(9)2;/h9-11H,3-8H2,1-2H3;1H
InChIKeyKVNXGBRGKIQZOS-UHFFFAOYSA-N
XLogP0.31
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride (CID 167741784) is N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride is CNCCCC1CNCCN1C.Cl.
What is the InChIKey of N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride?
The InChIKey is KVNXGBRGKIQZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-10-5-3-4-9-8-11-6-7-12(9)2;/h9-11H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride?
N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpiperazin-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 167741784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).