2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide

C13H28N4O — CID 83048313

IUPAC2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-4-5-12(13(18)15-14)17(3)10-11-6-8-16(2)9-7-11/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyKPEQURRXGKNYMU-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.42
Rot. Bonds6

About 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide (PubChem CID 83048313) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide
PubChem CID83048313
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide
SMILESCCCC(C(=O)NN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-4-5-12(13(18)15-14)17(3)10-11-6-8-16(2)9-7-11/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyKPEQURRXGKNYMU-UHFFFAOYSA-N
XLogP0.42
TPSA61.60 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63236412
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
2-[cyclohexyl(methyl)amino]pentanehydrazide
CID 83047526
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83053845
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide?
The IUPAC name of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide (CID 83048313) is 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide.
What is the SMILES notation for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide?
The canonical SMILES for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide is CCCC(C(=O)NN)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide?
The InChIKey is KPEQURRXGKNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-5-12(13(18)15-14)17(3)10-11-6-8-16(2)9-7-11/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide?
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanehydrazide is sourced from PubChem (CID 83048313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).