6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide

C13H27N3O2 — CID 102873673

IUPAC6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
SMILESNNC(=O)CCCCCN(CCCO)C1CCC1
InChIInChI=1S/C13H27N3O2/c14-15-13(18)8-2-1-3-9-16(10-5-11-17)12-6-4-7-12/h12,17H,1-11,14H2,(H,15,18)
InChIKeyZIXNETFYBBCJOC-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.77
Rot. Bonds10

About 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide

6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide (PubChem CID 102873673) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide.

Molecular Properties

Compound Name6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
PubChem CID102873673
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide
SMILESNNC(=O)CCCCCN(CCCO)C1CCC1
InChIInChI=1S/C13H27N3O2/c14-15-13(18)8-2-1-3-9-16(10-5-11-17)12-6-4-7-12/h12,17H,1-11,14H2,(H,15,18)
InChIKeyZIXNETFYBBCJOC-UHFFFAOYSA-N
XLogP0.77
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-[cyclopropyl(cyclopropylmethyl)amino]hexanehydrazide
CID 64520123
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
12-hydroxydodecanehydrazide
CID 12718243
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
4-[cyclohexyl(methyl)amino]butanehydrazide
CID 63568701
4-[cycloheptyl(methyl)amino]butanehydrazide
CID 63571638
3-[5-bromopentyl(cyclobutyl)amino]propan-1-ol
CID 102869386
6-[2-aminoethyl(cyclobutyl)amino]hexan-1-ol
CID 107707010
6-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-octyldecyl)hexanamide
CID 169317754
3-[cyclobutyl(3-hydroxypropyl)amino]-2-methylpropanehydrazide
CID 102873681
3-[cyclobutyl(3-hydroxypropyl)amino]propanal
CID 102864313

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide?
The IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide (CID 102873673) is 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide.
What is the SMILES notation for 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide?
The canonical SMILES for 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide is NNC(=O)CCCCCN(CCCO)C1CCC1.
What is the InChIKey of 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide?
The InChIKey is ZIXNETFYBBCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c14-15-13(18)8-2-1-3-9-16(10-5-11-17)12-6-4-7-12/h12,17H,1-11,14H2,(H,15,18).
What are the key properties of 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide?
6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide has a molecular weight of 257.38 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(3-hydroxypropyl)amino]hexanehydrazide is sourced from PubChem (CID 102873673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).