N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C13H29N3O2 — CID 103409514

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CN(C)CCN1C
InChIInChI=1S/C13H29N3O2/c1-15-6-7-16(2)13(12-15)11-14-5-4-8-18-10-9-17-3/h13-14H,4-12H2,1-3H3
InChIKeyRJHINQGXXMQABC-UHFFFAOYSA-N
MW259.39 g/mol
LogP-0.13
Rot. Bonds9

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 103409514) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID103409514
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CN(C)CCN1C
InChIInChI=1S/C13H29N3O2/c1-15-6-7-16(2)13(12-15)11-14-5-4-8-18-10-9-17-3/h13-14H,4-12H2,1-3H3
InChIKeyRJHINQGXXMQABC-UHFFFAOYSA-N
XLogP-0.13
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-3-(morpholin-4-yl)propan-2-amine
CID 81102361
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 63896714
Diethyl-morpholin-3-ylmethyl-amine
CID 14075475
1-(3-Ethoxypropyl)piperazine
CID 20426850
1-(3-Butoxypropyl)piperazine
CID 54384245
(2R,5S)-1-(3-methoxypropyl)-2,5-dimethylpiperazine
CID 57519196
1-Ethoxy-3-piperazin-1-ylpropan-2-olate
CID 59029919
1-(4-Methoxybutan-2-yl)piperazine
CID 61872790
3-ethoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 62575340
1-(3-Methoxypropyl)-2-methylpiperazine
CID 62674205
1-(3-Propoxypropyl)piperazine
CID 62715624
1-(3-Methoxypropyl)-3-methylpiperazine
CID 64834194

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 103409514) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is RJHINQGXXMQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-15-6-7-16(2)13(12-15)11-14-5-4-8-18-10-9-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 103409514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).