(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide

C11H24N8O4 — CID 102254875

IUPAC(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
SMILESNNC(=O)CC[C@H](C[C@H](CCC(=O)NN)C(=O)NN)C(=O)NN
InChIInChI=1S/C11H24N8O4/c12-16-8(20)3-1-6(10(22)18-14)5-7(11(23)19-15)2-4-9(21)17-13/h6-7H,1-5,12-15H2,(H,16,20)(H,17,21)(H,18,22)(H,19,23)/t6-,7+
InChIKeyAIYWDDZUTOYWEG-KNVOCYPGSA-N
MW332.37 g/mol
LogP-3.87
Rot. Bonds10

About (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide

(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide (PubChem CID 102254875) has the molecular formula C11H24N8O4 and a molecular weight of 332.37 g/mol. Its IUPAC name is (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide.

Molecular Properties

Compound Name(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
PubChem CID102254875
Molecular FormulaC11H24N8O4
Molecular Weight332.37 g/mol
Exact Mass332.19
IUPAC Name(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
SMILESNNC(=O)CC[C@H](C[C@H](CCC(=O)NN)C(=O)NN)C(=O)NN
InChIInChI=1S/C11H24N8O4/c12-16-8(20)3-1-6(10(22)18-14)5-7(11(23)19-15)2-4-9(21)17-13/h6-7H,1-5,12-15H2,(H,16,20)(H,17,21)(H,18,22)(H,19,23)/t6-,7+
InChIKeyAIYWDDZUTOYWEG-KNVOCYPGSA-N
XLogP-3.87
TPSA220.48 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 5-3.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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

pentane-1,3,5-tricarbohydrazide
CID 18368507
2-(2-hydroxy-3-propan-2-yloxypropyl)pentanedihydrazide
CID 3743875
(2R)-2-aminopentanedihydrazide
CID 13018201
2-(3-butoxy-2-hydroxypropyl)pentanedihydrazide
CID 3100698
butanedihydrazide;hydrochloride
CID 54607274
hexane-1,1,6-tricarbohydrazide
CID 91506149
heptane-1,1,7-tricarbohydrazide
CID 91008212
3-methylhexanedihydrazide
CID 141312622
2-acetylhexanedihydrazide
CID 141350110
hexanedihydrazide;pentanedihydrazide
CID 157195533
(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
CID 102254878
2-octylbutanedihydrazide
CID 19764915

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide?
The IUPAC name of (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide (CID 102254875) is (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide.
What is the SMILES notation for (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide?
The canonical SMILES for (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide is NNC(=O)CC[C@H](C[C@H](CCC(=O)NN)C(=O)NN)C(=O)NN.
What is the InChIKey of (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide?
The InChIKey is AIYWDDZUTOYWEG-KNVOCYPGSA-N. The full InChI is InChI=1S/C11H24N8O4/c12-16-8(20)3-1-6(10(22)18-14)5-7(11(23)19-15)2-4-9(21)17-13/h6-7H,1-5,12-15H2,(H,16,20)(H,17,21)(H,18,22)(H,19,23)/t6-,7+.
What are the key properties of (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide?
(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide has a molecular weight of 332.37 g/mol, XLogP of -3.87, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-heptane-1,3,5,7-tetracarbohydrazide is sourced from PubChem (CID 102254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).