4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine

C13H29N3 — CID 63621588

IUPAC4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCC(C)CC(N)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3/c1-11(2)8-12(14)9-16-7-6-15(5)13(3,4)10-16/h11-12H,6-10,14H2,1-5H3
InChIKeyXVIXYQYWJITSHT-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds4

About 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine

4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 63621588) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
PubChem CID63621588
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCC(C)CC(N)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H29N3/c1-11(2)8-12(14)9-16-7-6-15(5)13(3,4)10-16/h11-12H,6-10,14H2,1-5H3
InChIKeyXVIXYQYWJITSHT-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(azetidin-1-yl)-4-methylpentan-2-amine
CID 130547403
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 106114835
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
1-thiophen-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113279454
1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63610350
2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63634903
(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine
CID 18649577
2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde
CID 63635334
methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63634901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine (CID 63621588) is 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine is CC(C)CC(N)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is XVIXYQYWJITSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)8-12(14)9-16-7-6-15(5)13(3,4)10-16/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine?
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 63621588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).