4-[cyclohexylmethyl(methyl)amino]pentanehydrazide

C13H27N3O — CID 63577696

IUPAC4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(8-9-13(17)15-14)16(2)10-12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMDGGTADRCGEANT-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.66
Rot. Bonds6

About 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide

4-[cyclohexylmethyl(methyl)amino]pentanehydrazide (PubChem CID 63577696) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
PubChem CID63577696
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(8-9-13(17)15-14)16(2)10-12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMDGGTADRCGEANT-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
3-[cyclopropylmethyl(methyl)amino]propanehydrazide
CID 63571724
4-cycloheptyloxypentanehydrazide
CID 63571096
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide?
The IUPAC name of 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide (CID 63577696) is 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide is CC(CCC(=O)NN)N(C)CC1CCCCC1.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide?
The InChIKey is MDGGTADRCGEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(8-9-13(17)15-14)16(2)10-12-6-4-3-5-7-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide?
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide has a molecular weight of 241.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)amino]pentanehydrazide is sourced from PubChem (CID 63577696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).