2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide

C12H27N3O — CID 63583676

IUPAC2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
SMILESCCCCCN(CC(C)C(=O)NN)C(C)C
InChIInChI=1S/C12H27N3O/c1-5-6-7-8-15(10(2)3)9-11(4)12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeySHYUOCNXAVUFJV-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.51
Rot. Bonds8

About 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide

2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide (PubChem CID 63583676) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
PubChem CID63583676
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
SMILESCCCCCN(CC(C)C(=O)NN)C(C)C
InChIInChI=1S/C12H27N3O/c1-5-6-7-8-15(10(2)3)9-11(4)12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeySHYUOCNXAVUFJV-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
3-[butyl(methyl)amino]-2-methylpropanehydrazide
CID 63568681
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
2-[butyl(2-hydroxyethyl)amino]-3-methylbutanehydrazide
CID 63585073
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
ethyl 2-(ethylamino)-4-[pentyl(propan-2-yl)amino]butanoate
CID 63054301
2-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanehydrazide
CID 112666689
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
2-methylpentanehydrazide
CID 43183484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide?
The IUPAC name of 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide (CID 63583676) is 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide.
What is the SMILES notation for 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide?
The canonical SMILES for 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide is CCCCCN(CC(C)C(=O)NN)C(C)C.
What is the InChIKey of 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide?
The InChIKey is SHYUOCNXAVUFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-6-7-8-15(10(2)3)9-11(4)12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide?
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide is sourced from PubChem (CID 63583676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).