6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine

C15H34N4 — CID 62886982

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-15(16-2)7-5-6-8-18-11-13-19(14-12-18)10-9-17(3)4/h15-16H,5-14H2,1-4H3
InChIKeyKIZKLZUPJMKTCT-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.94
Rot. Bonds9

About 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine (PubChem CID 62886982) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
PubChem CID62886982
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
SMILESCNC(C)CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4/c1-15(16-2)7-5-6-8-18-11-13-19(14-12-18)10-9-17(3)4/h15-16H,5-14H2,1-4H3
InChIKeyKIZKLZUPJMKTCT-UHFFFAOYSA-N
XLogP0.94
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987109
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
CID 63973848
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
5-(4-ethyl-4-methylpiperidin-1-yl)-N-methylpentan-2-amine
CID 63160676
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 62890058
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine (CID 62886982) is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine is CNC(C)CCCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine?
The InChIKey is KIZKLZUPJMKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-15(16-2)7-5-6-8-18-11-13-19(14-12-18)10-9-17(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine?
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine is sourced from PubChem (CID 62886982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).