N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide

C13H28N4O — CID 83021998

IUPACN-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NN1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-11(2)5-6-14-13(18)12(3)15-17-9-7-16(4)8-10-17/h11-12,15H,5-10H2,1-4H3,(H,14,18)
InChIKeyKUCPPIDNBOCARX-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.29
Rot. Bonds6

About N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide

N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide (PubChem CID 83021998) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide
PubChem CID83021998
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide
SMILESCC(C)CCNC(=O)C(C)NN1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-11(2)5-6-14-13(18)12(3)15-17-9-7-16(4)8-10-17/h11-12,15H,5-10H2,1-4H3,(H,14,18)
InChIKeyKUCPPIDNBOCARX-UHFFFAOYSA-N
XLogP0.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide (CID 83021998) is N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide is CC(C)CCNC(=O)C(C)NN1CCN(C)CC1.
What is the InChIKey of N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide?
The InChIKey is KUCPPIDNBOCARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(2)5-6-14-13(18)12(3)15-17-9-7-16(4)8-10-17/h11-12,15H,5-10H2,1-4H3,(H,14,18).
What are the key properties of N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide?
N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide is sourced from PubChem (CID 83021998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).