2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide

C13H27N3O — CID 55212497

IUPAC2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(13(17)15-14)16(3)9-11-7-5-4-6-8-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyRVYSGMZLVBSQMD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.51
Rot. Bonds5

About 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide

2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide (PubChem CID 55212497) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
PubChem CID55212497
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(13(17)15-14)16(3)9-11-7-5-4-6-8-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyRVYSGMZLVBSQMD-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
CID 63705691
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248
(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
2-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
CID 63572653
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-methylamino]acetamide
CID 63573846
2-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402367
4-amino-3-[cyclohexylmethyl(methyl)amino]butanamide
CID 66427542
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide (CID 55212497) is 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide is CC(C)C(C(=O)NN)N(C)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide?
The InChIKey is RVYSGMZLVBSQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(13(17)15-14)16(3)9-11-7-5-4-6-8-11/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide?
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide has a molecular weight of 241.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide is sourced from PubChem (CID 55212497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).