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

C13H29N3 — CID 114547111

IUPAC1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-5-6-7-13(14)10-16-8-11(2)15(4)12(3)9-16/h11-13H,5-10,14H2,1-4H3
InChIKeyINUMWISXNQCIQU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds5

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

1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine (PubChem CID 114547111) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
PubChem CID114547111
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3/c1-5-6-7-13(14)10-16-8-11(2)15(4)12(3)9-16/h11-13H,5-10,14H2,1-4H3
InChIKeyINUMWISXNQCIQU-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
CID 115560295
4-butyl-1,2,6-trimethylpiperazine
CID 126991132
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-morpholin-4-ylhexan-2-amine
CID 60852253
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
1-(3,5-dimethylpiperazin-1-yl)pentan-2-amine
CID 67575951
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine?
The IUPAC name of 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine (CID 114547111) is 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine.
What is the SMILES notation for 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine?
The canonical SMILES for 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine is CCCCC(N)CN1CC(C)N(C)C(C)C1.
What is the InChIKey of 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine?
The InChIKey is INUMWISXNQCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-6-7-13(14)10-16-8-11(2)15(4)12(3)9-16/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine?
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine is sourced from PubChem (CID 114547111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).