1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine

C16H39N3 — CID 143216901

IUPAC1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine
SMILESCC.CC.CN1CCN(C)CC1.CNC1CCCC1
InChIInChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-6-4-2-3-5-6;2*1-2/h3-6H2,1-2H3;6-7H,2-5H2,1H3;2*1-2H3
InChIKeyJTKBKNIKLPWYLL-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.06
Rot. Bonds1

About 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine

1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine (PubChem CID 143216901) has the molecular formula C16H39N3 and a molecular weight of 273.51 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine
PubChem CID143216901
Molecular FormulaC16H39N3
Molecular Weight273.51 g/mol
Exact Mass273.31
IUPAC Name1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine
SMILESCC.CC.CN1CCN(C)CC1.CNC1CCCC1
InChIInChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-6-4-2-3-5-6;2*1-2/h3-6H2,1-2H3;6-7H,2-5H2,1H3;2*1-2H3
InChIKeyJTKBKNIKLPWYLL-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
ethane;methanamine;N-methylcyclohexanamine
CID 142330203
N-methylcyclohexanamine;dihydrochloride
CID 140514199
hydron;N-methylcyclopentanamine;chloride
CID 67156726
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
1,4-dimethylpiperazine;ethane
CID 91292414
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
sodium;cyanoboranuide;N-methylcyclohexanamine
CID 175322273
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine (CID 143216901) is 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine is CC.CC.CN1CCN(C)CC1.CNC1CCCC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine?
The InChIKey is JTKBKNIKLPWYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-6-4-2-3-5-6;2*1-2/h3-6H2,1-2H3;6-7H,2-5H2,1H3;2*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine?
1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine has a molecular weight of 273.51 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine is sourced from PubChem (CID 143216901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).