2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

C13H29N3 — CID 114547158

IUPAC2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCC1CN(CCCC(C)(C)N)CC(C)N1C
InChIInChI=1S/C13H29N3/c1-11-9-16(10-12(2)15(11)5)8-6-7-13(3,4)14/h11-12H,6-10,14H2,1-5H3
InChIKeyGEBQDPQHICJJAI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine

2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (PubChem CID 114547158) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
PubChem CID114547158
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
SMILESCC1CN(CCCC(C)(C)N)CC(C)N1C
InChIInChI=1S/C13H29N3/c1-11-9-16(10-12(2)15(11)5)8-6-7-13(3,4)14/h11-12H,6-10,14H2,1-5H3
InChIKeyGEBQDPQHICJJAI-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
CID 114540881
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
2-(ethylamino)-2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539447
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
N-[4-(3,4,5-trimethylpiperazin-1-yl)butyl]cyclopropanamine
CID 114540197
methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
4,4-dimethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]pentan-1-amine
CID 107473681
2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
CID 114539222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The IUPAC name of 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine (CID 114547158) is 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine.
What is the SMILES notation for 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The canonical SMILES for 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is CC1CN(CCCC(C)(C)N)CC(C)N1C.
What is the InChIKey of 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
The InChIKey is GEBQDPQHICJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11-9-16(10-12(2)15(11)5)8-6-7-13(3,4)14/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine?
2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine is sourced from PubChem (CID 114547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).