N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine

C13H25N3 — CID 115872596

IUPACN,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
SMILESC#CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H25N3/c1-4-5-6-7-15-10-12-16(13-11-15)9-8-14(2)3/h1H,5-13H2,2-3H3
InChIKeyLUJVHYCECCKBOF-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.58
Rot. Bonds6

About N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine

N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine (PubChem CID 115872596) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
PubChem CID115872596
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
SMILESC#CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H25N3/c1-4-5-6-7-15-10-12-16(13-11-15)9-8-14(2)3/h1H,5-13H2,2-3H3
InChIKeyLUJVHYCECCKBOF-UHFFFAOYSA-N
XLogP0.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-pent-4-ynylpiperazine
CID 23446116
1-pent-4-ynylpyrrolidine
CID 82363312
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
1-pent-4-ynyl-4-propan-2-ylpiperidine
CID 103878594
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
CID 155177393
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
4-methoxy-1-pent-4-ynylpiperidine
CID 115872590

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine (CID 115872596) is N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine is C#CCCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine?
The InChIKey is LUJVHYCECCKBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-5-6-7-15-10-12-16(13-11-15)9-8-14(2)3/h1H,5-13H2,2-3H3.
What are the key properties of N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine?
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine has a molecular weight of 223.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 115872596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).