2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide

C12H27N5O — CID 63055069

IUPAC2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
SMILESCN(C)CCN1CCN(CCC(N)C(N)=O)CC1
InChIInChI=1S/C12H27N5O/c1-15(2)5-6-17-9-7-16(8-10-17)4-3-11(13)12(14)18/h11H,3-10,13H2,1-2H3,(H2,14,18)
InChIKeyPTTAGLBHOYOYCT-UHFFFAOYSA-N
MW257.38 g/mol
LogP-1.63
Rot. Bonds7

About 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide

2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide (PubChem CID 63055069) has the molecular formula C12H27N5O and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
PubChem CID63055069
Molecular FormulaC12H27N5O
Molecular Weight257.38 g/mol
Exact Mass257.22
IUPAC Name2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
SMILESCN(C)CCN1CCN(CCC(N)C(N)=O)CC1
InChIInChI=1S/C12H27N5O/c1-15(2)5-6-17-9-7-16(8-10-17)4-3-11(13)12(14)18/h11H,3-10,13H2,1-2H3,(H2,14,18)
InChIKeyPTTAGLBHOYOYCT-UHFFFAOYSA-N
XLogP-1.63
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide?
The IUPAC name of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide (CID 63055069) is 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide.
What is the SMILES notation for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide?
The canonical SMILES for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide is CN(C)CCN1CCN(CCC(N)C(N)=O)CC1.
What is the InChIKey of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide?
The InChIKey is PTTAGLBHOYOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O/c1-15(2)5-6-17-9-7-16(8-10-17)4-3-11(13)12(14)18/h11H,3-10,13H2,1-2H3,(H2,14,18).
What are the key properties of 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide?
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide has a molecular weight of 257.38 g/mol, XLogP of -1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide is sourced from PubChem (CID 63055069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).