3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine

C12H27N3O — CID 105238872

IUPAC3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine
SMILESCN(C)C(C)(C)C(CC1CCOCC1)NN
InChIInChI=1S/C12H27N3O/c1-12(2,15(3)4)11(14-13)9-10-5-7-16-8-6-10/h10-11,14H,5-9,13H2,1-4H3
InChIKeyRKYFSCDNUPWNRM-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.98
Rot. Bonds5

About 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine

3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine (PubChem CID 105238872) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine
PubChem CID105238872
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine
SMILESCN(C)C(C)(C)C(CC1CCOCC1)NN
InChIInChI=1S/C12H27N3O/c1-12(2,15(3)4)11(14-13)9-10-5-7-16-8-6-10/h10-11,14H,5-9,13H2,1-4H3
InChIKeyRKYFSCDNUPWNRM-UHFFFAOYSA-N
XLogP0.98
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclobutyl-3-methyl-3-morpholin-4-ylpentan-2-yl)hydrazine
CID 105241536
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
[3,4-dimethyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105298895
2-(dimethylamino)-2-methyl-7-(oxan-4-yl)heptan-3-ol
CID 114192008
[5-methyl-1-(oxan-4-yl)hexan-2-yl]hydrazine
CID 105207471
1-(4-tert-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 65402159
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
[3-ethoxy-4-methyl-1-(oxan-4-yl)pentan-2-yl]hydrazine
CID 105272334
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
[1-cyclopropyl-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265931

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine?
The IUPAC name of 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine (CID 105238872) is 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine?
The canonical SMILES for 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine is CN(C)C(C)(C)C(CC1CCOCC1)NN.
What is the InChIKey of 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine?
The InChIKey is RKYFSCDNUPWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2,15(3)4)11(14-13)9-10-5-7-16-8-6-10/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine?
3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N,2-trimethyl-4-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 105238872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).