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

C12H27N3 — CID 114537771

IUPACN-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
SMILESCCNC(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H27N3/c1-6-13-10(2)7-15-8-11(3)14(5)12(4)9-15/h10-13H,6-9H2,1-5H3
InChIKeyFIOGBLBAIUPUJY-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds4

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

N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 114537771) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
PubChem CID114537771
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine
SMILESCCNC(C)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H27N3/c1-6-13-10(2)7-15-8-11(3)14(5)12(4)9-15/h10-13H,6-9H2,1-5H3
InChIKeyFIOGBLBAIUPUJY-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanenitrile
CID 114539184
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849
2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propane-1-thiol
CID 114541048
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
1-[2-(ethylamino)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164255
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537886
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
CID 104937389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine (CID 114537771) is N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is CCNC(C)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is FIOGBLBAIUPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-13-10(2)7-15-8-11(3)14(5)12(4)9-15/h10-13H,6-9H2,1-5H3.
What are the key properties of N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine?
N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 114537771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).