N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine

C13H29N3O — CID 82944415

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-12-17-13-4-5-14-6-7-16-10-8-15(2)9-11-16/h14H,3-13H2,1-2H3
InChIKeyMHEPDTMSZQWHHN-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds9

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine (PubChem CID 82944415) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
PubChem CID82944415
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-12-17-13-4-5-14-6-7-16-10-8-15(2)9-11-16/h14H,3-13H2,1-2H3
InChIKeyMHEPDTMSZQWHHN-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82889118
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502
N-(2-butoxyethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554738
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
N-(2-fluoroethyl)-3-propoxypropan-1-amine
CID 82942102
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 174081579

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine (CID 82944415) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine is CCCOCCCNCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine?
The InChIKey is MHEPDTMSZQWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-12-17-13-4-5-14-6-7-16-10-8-15(2)9-11-16/h14H,3-13H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82944415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).