2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide

C14H30N4O — CID 80507138

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C14H30N4O/c1-4-5-6-7-16-14(19)12(2)18-9-8-17(3)11-13(18)10-15/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyVDSJLZIOOFZEIZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds7

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide (PubChem CID 80507138) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
PubChem CID80507138
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCN(C)CC1CN
InChIInChI=1S/C14H30N4O/c1-4-5-6-7-16-14(19)12(2)18-9-8-17(3)11-13(18)10-15/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyVDSJLZIOOFZEIZ-UHFFFAOYSA-N
XLogP0.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 80507114
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
CID 80504975
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
CID 79560458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide (CID 80507138) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide is CCCCCNC(=O)C(C)N1CCN(C)CC1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide?
The InChIKey is VDSJLZIOOFZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-5-6-7-16-14(19)12(2)18-9-8-17(3)11-13(18)10-15/h12-13H,4-11,15H2,1-3H3,(H,16,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide is sourced from PubChem (CID 80507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).