N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine

C9H18N4O — CID 82749499

IUPACN-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8-9(4-7-14-8)13(2)6-3-5-11-12-10/h8-9H,3-7H2,1-2H3
InChIKeyCFVIHQMWHNIRCK-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.80
Rot. Bonds5

About N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine

N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine (PubChem CID 82749499) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
PubChem CID82749499
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O/c1-8-9(4-7-14-8)13(2)6-3-5-11-12-10/h8-9H,3-7H2,1-2H3
InChIKeyCFVIHQMWHNIRCK-UHFFFAOYSA-N
XLogP1.80
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine (CID 82749499) is N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)CCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine?
The InChIKey is CFVIHQMWHNIRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8-9(4-7-14-8)13(2)6-3-5-11-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine?
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine has a molecular weight of 198.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82749499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).