2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide

C12H26N4O — CID 63898587

IUPAC2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C12H26N4O/c1-4-10(7-13)12(17)14-8-11-9-15(2)5-6-16(11)3/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyLZVMLLUQNZIKLN-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.67
Rot. Bonds5

About 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide

2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide (PubChem CID 63898587) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
PubChem CID63898587
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
SMILESCCC(CN)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C12H26N4O/c1-4-10(7-13)12(17)14-8-11-9-15(2)5-6-16(11)3/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyLZVMLLUQNZIKLN-UHFFFAOYSA-N
XLogP-0.67
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011321
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
CID 63898805
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide (CID 63898587) is 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide is CCC(CN)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide?
The InChIKey is LZVMLLUQNZIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-10(7-13)12(17)14-8-11-9-15(2)5-6-16(11)3/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide?
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide has a molecular weight of 242.37 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide is sourced from PubChem (CID 63898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).