6-(2-ethylazepan-1-yl)hexanehydrazide

C14H29N3O — CID 113442029

IUPAC6-(2-ethylazepan-1-yl)hexanehydrazide
SMILESCCC1CCCCCN1CCCCCC(=O)NN
InChIInChI=1S/C14H29N3O/c1-2-13-9-5-3-7-11-17(13)12-8-4-6-10-14(18)16-15/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyLDWDXRPWZFLRCJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.19
Rot. Bonds7

About 6-(2-ethylazepan-1-yl)hexanehydrazide

6-(2-ethylazepan-1-yl)hexanehydrazide (PubChem CID 113442029) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 6-(2-ethylazepan-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(2-ethylazepan-1-yl)hexanehydrazide
PubChem CID113442029
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name6-(2-ethylazepan-1-yl)hexanehydrazide
SMILESCCC1CCCCCN1CCCCCC(=O)NN
InChIInChI=1S/C14H29N3O/c1-2-13-9-5-3-7-11-17(13)12-8-4-6-10-14(18)16-15/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyLDWDXRPWZFLRCJ-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.19
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

1-dodecyl-2-ethylpiperidine
CID 171569899
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylazepan-1-yl)hexanehydrazide?
The IUPAC name of 6-(2-ethylazepan-1-yl)hexanehydrazide (CID 113442029) is 6-(2-ethylazepan-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(2-ethylazepan-1-yl)hexanehydrazide?
The canonical SMILES for 6-(2-ethylazepan-1-yl)hexanehydrazide is CCC1CCCCCN1CCCCCC(=O)NN.
What is the InChIKey of 6-(2-ethylazepan-1-yl)hexanehydrazide?
The InChIKey is LDWDXRPWZFLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-13-9-5-3-7-11-17(13)12-8-4-6-10-14(18)16-15/h13H,2-12,15H2,1H3,(H,16,18).
What are the key properties of 6-(2-ethylazepan-1-yl)hexanehydrazide?
6-(2-ethylazepan-1-yl)hexanehydrazide has a molecular weight of 255.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylazepan-1-yl)hexanehydrazide is sourced from PubChem (CID 113442029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).