3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine

C13H30N4 — CID 43253206

IUPAC3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-4-13(5-6-14)17-11-9-16(10-12-17)8-7-15(2)3/h13H,4-12,14H2,1-3H3
InChIKeyPBSZEPVKTDKOKI-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.29
Rot. Bonds7

About 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine (PubChem CID 43253206) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
PubChem CID43253206
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-4-13(5-6-14)17-11-9-16(10-12-17)8-7-15(2)3/h13H,4-12,14H2,1-3H3
InChIKeyPBSZEPVKTDKOKI-UHFFFAOYSA-N
XLogP0.29
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
3-amino-N-ethylpiperidine
CID 98094
N,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
1-Pentylpiperazine
CID 2737112
4-Amino-1-methylpiperidine
CID 2737531
1-Ethylpiperidin-4-amine
CID 3734990
1-(Piperidin-4-yl)piperazine
CID 15386099
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-(1-Methyl-4-piperidinyl)piperazine
CID 566324
N,N-diethylpiperidin-4-amine
CID 2758239

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine (CID 43253206) is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine?
The InChIKey is PBSZEPVKTDKOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-4-13(5-6-14)17-11-9-16(10-12-17)8-7-15(2)3/h13H,4-12,14H2,1-3H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine?
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43253206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).