6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine

C15H33N3 — CID 65295738

IUPAC6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
SMILESCCC1CN(CCCC(C)(C)CCN)CCN1C
InChIInChI=1S/C15H33N3/c1-5-14-13-18(12-11-17(14)4)10-6-7-15(2,3)8-9-16/h14H,5-13,16H2,1-4H3
InChIKeyXTQARWKOERHFNF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.17
Rot. Bonds7

About 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine

6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine (PubChem CID 65295738) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
PubChem CID65295738
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
SMILESCCC1CN(CCCC(C)(C)CCN)CCN1C
InChIInChI=1S/C15H33N3/c1-5-14-13-18(12-11-17(14)4)10-6-7-15(2,3)8-9-16/h14H,5-13,16H2,1-4H3
InChIKeyXTQARWKOERHFNF-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-Trimethylpiperidin-4-amine
CID 68271528
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
2-(4,4-Dimethylpiperidin-1-yl)ethan-1-amine
CID 62936164
2-(3-Methylpiperidin-1-yl)propan-1-amine
CID 16641456
1-(3-Methylpiperidin-1-yl)propan-2-amine
CID 16783223
1-(3,5-Dimethylpiperidin-1-yl)propan-2-amine
CID 16794632
{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
3-Methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 16791955
2-[(3-Fluoropyrrolidin-1-yl)methyl]-3,3-dimethylpiperidine
CID 23190305
2-[(3-Fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
CID 23190315

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine?
The IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine (CID 65295738) is 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine.
What is the SMILES notation for 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine?
The canonical SMILES for 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine is CCC1CN(CCCC(C)(C)CCN)CCN1C.
What is the InChIKey of 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine?
The InChIKey is XTQARWKOERHFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-14-13-18(12-11-17(14)4)10-6-7-15(2,3)8-9-16/h14H,5-13,16H2,1-4H3.
What are the key properties of 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine?
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine is sourced from PubChem (CID 65295738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).