N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine

C8H20N2O — CID 123157394

IUPACN'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine
SMILESCOCNCCNC(C)(C)C
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-5-9-7-11-4/h9-10H,5-7H2,1-4H3
InChIKeyKBHXOQAHOPOLQM-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.57
Rot. Bonds5

About N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine

N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine (PubChem CID 123157394) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine
PubChem CID123157394
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine
SMILESCOCNCCNC(C)(C)C
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-5-9-7-11-4/h9-10H,5-7H2,1-4H3
InChIKeyKBHXOQAHOPOLQM-UHFFFAOYSA-N
XLogP0.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine 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

N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 79257227
3-(methoxymethylamino)propan-1-ol
CID 144789078
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
CID 107445809
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
CID 138672241

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine (CID 123157394) is N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine is COCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine?
The InChIKey is KBHXOQAHOPOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,3)10-6-5-9-7-11-4/h9-10H,5-7H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine is sourced from PubChem (CID 123157394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).