2-amino-N-(4-methylpiperazin-1-yl)butanediamide

C9H19N5O2 — CID 83015245

IUPAC2-amino-N-(4-methylpiperazin-1-yl)butanediamide
SMILESCN1CCN(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C9H19N5O2/c1-13-2-4-14(5-3-13)12-9(16)7(10)6-8(11)15/h7H,2-6,10H2,1H3,(H2,11,15)(H,12,16)
InChIKeyYDBZMXSQIUAXFS-UHFFFAOYSA-N
MW229.28 g/mol
LogP-2.53
Rot. Bonds4

About 2-amino-N-(4-methylpiperazin-1-yl)butanediamide

2-amino-N-(4-methylpiperazin-1-yl)butanediamide (PubChem CID 83015245) has the molecular formula C9H19N5O2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-(4-methylpiperazin-1-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(4-methylpiperazin-1-yl)butanediamide
PubChem CID83015245
Molecular FormulaC9H19N5O2
Molecular Weight229.28 g/mol
Exact Mass229.15
IUPAC Name2-amino-N-(4-methylpiperazin-1-yl)butanediamide
SMILESCN1CCN(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C9H19N5O2/c1-13-2-4-14(5-3-13)12-9(16)7(10)6-8(11)15/h7H,2-6,10H2,1H3,(H2,11,15)(H,12,16)
InChIKeyYDBZMXSQIUAXFS-UHFFFAOYSA-N
XLogP-2.53
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-2.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675
2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
CID 83011685
(2S)-2-amino-4-methyl-N-morpholin-4-ylpentanamide
CID 83016834
2-amino-N-(1-propylpiperidin-4-yl)butanediamide
CID 61275785
2-amino-N-carbamoylbutanediamide
CID 79194218
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
CID 103827811
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
CID 83005393
(2R)-2-amino-N-piperidin-1-yl-3-sulfanylpropanamide
CID 155192910

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylpiperazin-1-yl)butanediamide?
The IUPAC name of 2-amino-N-(4-methylpiperazin-1-yl)butanediamide (CID 83015245) is 2-amino-N-(4-methylpiperazin-1-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(4-methylpiperazin-1-yl)butanediamide?
The canonical SMILES for 2-amino-N-(4-methylpiperazin-1-yl)butanediamide is CN1CCN(NC(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of 2-amino-N-(4-methylpiperazin-1-yl)butanediamide?
The InChIKey is YDBZMXSQIUAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2/c1-13-2-4-14(5-3-13)12-9(16)7(10)6-8(11)15/h7H,2-6,10H2,1H3,(H2,11,15)(H,12,16).
What are the key properties of 2-amino-N-(4-methylpiperazin-1-yl)butanediamide?
2-amino-N-(4-methylpiperazin-1-yl)butanediamide has a molecular weight of 229.28 g/mol, XLogP of -2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylpiperazin-1-yl)butanediamide is sourced from PubChem (CID 83015245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).