2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

C14H31N3 — CID 114538952

IUPAC2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCCCNCC(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3/c1-6-7-15-8-12(2)9-17-10-13(3)16(5)14(4)11-17/h12-15H,6-11H2,1-5H3
InChIKeyAWDOMTMAGSCTNG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine

2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 114538952) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID114538952
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCCCNCC(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3/c1-6-7-15-8-12(2)9-17-10-13(3)16(5)14(4)11-17/h12-15H,6-11H2,1-5H3
InChIKeyAWDOMTMAGSCTNG-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
CID 114537771
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338
2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propane-1-thiol
CID 114541048
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62430346
N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537886
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (CID 114538952) is 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is CCCNCC(C)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is AWDOMTMAGSCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-7-15-8-12(2)9-17-10-13(3)16(5)14(4)11-17/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 114538952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).