1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine

C15H33N3 — CID 79658692

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C15H33N3/c1-6-8-13(3)11-14(16-7-2)15-12-17(4)9-10-18(15)5/h13-16H,6-12H2,1-5H3
InChIKeyYGGHQQHNZKFNFT-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 79658692) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
PubChem CID79658692
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C15H33N3/c1-6-8-13(3)11-14(16-7-2)15-12-17(4)9-10-18(15)5/h13-16H,6-12H2,1-5H3
InChIKeyYGGHQQHNZKFNFT-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-methylhexyl]hydrazine
CID 105261254
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)hexan-1-amine
CID 79093453
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79658440
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
CID 107896718
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
CID 79659606

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine (CID 79658692) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is YGGHQQHNZKFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-13(3)11-14(16-7-2)15-12-17(4)9-10-18(15)5/h13-16H,6-12H2,1-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 79658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).