N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C13H29N3O — CID 135181868

IUPACN-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOCCCN(C)CCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-14(7-5-13-17-3)6-4-8-16-11-9-15(2)10-12-16/h4-13H2,1-3H3
InChIKeyWEKOAXNEXHSZBH-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.59
Rot. Bonds8

About N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 135181868) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID135181868
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCOCCCN(C)CCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-14(7-5-13-17-3)6-4-8-16-11-9-15(2)10-12-16/h4-13H2,1-3H3
InChIKeyWEKOAXNEXHSZBH-UHFFFAOYSA-N
XLogP0.59
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 135181868) is N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is COCCCN(C)CCCN1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is WEKOAXNEXHSZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-14(7-5-13-17-3)6-4-8-16-11-9-15(2)10-12-16/h4-13H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 135181868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).