2-methyl-1-piperazin-1-ylhexan-3-amine

C11H25N3 — CID 116946597

IUPAC2-methyl-1-piperazin-1-ylhexan-3-amine
SMILESCCCC(N)C(C)CN1CCNCC1
InChIInChI=1S/C11H25N3/c1-3-4-11(12)10(2)9-14-7-5-13-6-8-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyBEOCTWLZAVQLPF-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-1-piperazin-1-ylhexan-3-amine

2-methyl-1-piperazin-1-ylhexan-3-amine (PubChem CID 116946597) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylhexan-3-amine.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylhexan-3-amine
PubChem CID116946597
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-methyl-1-piperazin-1-ylhexan-3-amine
SMILESCCCC(N)C(C)CN1CCNCC1
InChIInChI=1S/C11H25N3/c1-3-4-11(12)10(2)9-14-7-5-13-6-8-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyBEOCTWLZAVQLPF-UHFFFAOYSA-N
XLogP0.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-piperazin-1-ylpentan-3-amine
CID 116939882
methane;1-(2-methylpropyl)piperazine
CID 167537973
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 117237209
2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116946629
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-piperazin-1-ylheptan-2-ol
CID 70501156
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116946622
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62778147
1-(2-cycloheptylpropyl)piperazine
CID 82509737
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylhexan-3-amine?
The IUPAC name of 2-methyl-1-piperazin-1-ylhexan-3-amine (CID 116946597) is 2-methyl-1-piperazin-1-ylhexan-3-amine.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylhexan-3-amine?
The canonical SMILES for 2-methyl-1-piperazin-1-ylhexan-3-amine is CCCC(N)C(C)CN1CCNCC1.
What is the InChIKey of 2-methyl-1-piperazin-1-ylhexan-3-amine?
The InChIKey is BEOCTWLZAVQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-4-11(12)10(2)9-14-7-5-13-6-8-14/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 2-methyl-1-piperazin-1-ylhexan-3-amine?
2-methyl-1-piperazin-1-ylhexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylhexan-3-amine is sourced from PubChem (CID 116946597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).