3-azido-N-propoxypropan-1-amine

C6H14N4O — CID 126625241

IUPAC3-azido-N-propoxypropan-1-amine
SMILESCCCONCCCN=[N+]=[N-]
InChIInChI=1S/C6H14N4O/c1-2-6-11-9-5-3-4-8-10-7/h9H,2-6H2,1H3
InChIKeyUDLOXHTVEHXPIE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.62
Rot. Bonds7

About 3-azido-N-propoxypropan-1-amine

3-azido-N-propoxypropan-1-amine (PubChem CID 126625241) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-azido-N-propoxypropan-1-amine.

Molecular Properties

Compound Name3-azido-N-propoxypropan-1-amine
PubChem CID126625241
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name3-azido-N-propoxypropan-1-amine
SMILESCCCONCCCN=[N+]=[N-]
InChIInChI=1S/C6H14N4O/c1-2-6-11-9-5-3-4-8-10-7/h9H,2-6H2,1H3
InChIKeyUDLOXHTVEHXPIE-UHFFFAOYSA-N
XLogP1.62
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-azidobutane
CID 4563922
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 89142386
N-(3-azidopropyl)-2-ethoxyethanesulfonamide
CID 63246818
1-azido-12-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecane
CID 171471401
3-azido-N-methylpropan-1-amine;hydrochloride
CID 86672808
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
1-azidotriacontane
CID 71752669
1-azidohexadecane
CID 11230945
4-azido-N-butylbutan-1-amine;hydrochloride
CID 25112450
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
1-azidooctane;hydrochloride
CID 175871639
1-azido-3-(2-azidoethoxy)propane
CID 161084189

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-propoxypropan-1-amine?
The IUPAC name of 3-azido-N-propoxypropan-1-amine (CID 126625241) is 3-azido-N-propoxypropan-1-amine.
What is the SMILES notation for 3-azido-N-propoxypropan-1-amine?
The canonical SMILES for 3-azido-N-propoxypropan-1-amine is CCCONCCCN=[N+]=[N-].
What is the InChIKey of 3-azido-N-propoxypropan-1-amine?
The InChIKey is UDLOXHTVEHXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-2-6-11-9-5-3-4-8-10-7/h9H,2-6H2,1H3.
What are the key properties of 3-azido-N-propoxypropan-1-amine?
3-azido-N-propoxypropan-1-amine has a molecular weight of 158.20 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-propoxypropan-1-amine is sourced from PubChem (CID 126625241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).