3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine

C10H22N4O — CID 173483389

IUPAC3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C10H22N4O/c1-9(2,5-11)7-15-8-10(3,4)6-13-14-12/h5-8,11H2,1-4H3
InChIKeyWVAQDLUHFUAILP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.32
Rot. Bonds7

About 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine

3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine (PubChem CID 173483389) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
PubChem CID173483389
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCC(C)(C)CN=[N+]=[N-]
InChIInChI=1S/C10H22N4O/c1-9(2,5-11)7-15-8-10(3,4)6-13-14-12/h5-8,11H2,1-4H3
InChIKeyWVAQDLUHFUAILP-UHFFFAOYSA-N
XLogP2.32
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 166914726
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360
3-azido-2,2-difluoropropan-1-amine
CID 150560121
5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
CID 155267878
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
3-azido-2-(azidomethyl)-2-methylpropan-1-ol
CID 14128692
1-(3-azido-2,2-dimethylpropyl)-3-methylcyclobutane
CID 90130604
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062
2,2-dimethylpropane-1,3-diamine
CID 162099967
ethyl 3-azido-2-hydroxy-2-methylpropanoate
CID 86095918
2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035

Frequently Asked Questions

What is the IUPAC name of 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine (CID 173483389) is 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine is CC(C)(CN)COCC(C)(C)CN=[N+]=[N-].
What is the InChIKey of 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is WVAQDLUHFUAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2,5-11)7-15-8-10(3,4)6-13-14-12/h5-8,11H2,1-4H3.
What are the key properties of 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine?
3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 173483389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).