3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide

C14H30N4O — CID 64677799

IUPAC3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCN1CCN(C(C)(C)CNC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C14H30N4O/c1-13(2,15)10-12(19)16-11-14(3,4)18-8-6-17(5)7-9-18/h6-11,15H2,1-5H3,(H,16,19)
InChIKeyYLXOGPOLEXLXSZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds5

About 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide

3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 64677799) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID64677799
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCN1CCN(C(C)(C)CNC(=O)CC(C)(C)N)CC1
InChIInChI=1S/C14H30N4O/c1-13(2,15)10-12(19)16-11-14(3,4)18-8-6-17(5)7-9-18/h6-11,15H2,1-5H3,(H,16,19)
InChIKeyYLXOGPOLEXLXSZ-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide (CID 64677799) is 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide is CN1CCN(C(C)(C)CNC(=O)CC(C)(C)N)CC1.
What is the InChIKey of 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is YLXOGPOLEXLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2,15)10-12(19)16-11-14(3,4)18-8-6-17(5)7-9-18/h6-11,15H2,1-5H3,(H,16,19).
What are the key properties of 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide?
3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 64677799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).