N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine

C9H18N4O — CID 61452046

IUPACN-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCCN=[N+]=[N-])C1CC1
InChIInChI=1S/C9H18N4O/c1-14-8-7-13(9-3-4-9)6-2-5-11-12-10/h9H,2-8H2,1H3
InChIKeyFTMOPGMOSOXFBQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.80
Rot. Bonds8

About N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine

N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 61452046) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine
PubChem CID61452046
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCCN=[N+]=[N-])C1CC1
InChIInChI=1S/C9H18N4O/c1-14-8-7-13(9-3-4-9)6-2-5-11-12-10/h9H,2-8H2,1H3
InChIKeyFTMOPGMOSOXFBQ-UHFFFAOYSA-N
XLogP1.80
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

1-Cyclopropyl-1-(2-methoxyethyl)-2,2-dimethylhydrazine
CID 134217525
3-N-ethyl-3-N-(2-methoxyethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 134603214
N-(2-methoxyethyl)-N-propan-2-ylcyclopropanamine
CID 138660927
N,N-bis[2-(2-azidoethoxy)ethyl]propan-2-amine
CID 141654861
N-(2-methoxyethyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 143608809
3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 143976453
ethane;3-N-(2-methoxyethyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 144804911
1-N-ethyl-3-N-(2-methoxyethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 145596772
3-N-(2-methoxyethyl)-1-N,3-N-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 156836008
N-[2-(2-azidoethoxy)ethyl]-N-(2-propoxyethyl)propan-2-amine
CID 163683267
N-[2-(dimethylamino)ethoxymethyl]-N-methylcyclopropanamine
CID 167009908
ethane;N-(2-methoxyethyl)-N-methylcyclopropanamine
CID 169184703

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine (CID 61452046) is N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine is COCCN(CCCN=[N+]=[N-])C1CC1.
What is the InChIKey of N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is FTMOPGMOSOXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-14-8-7-13(9-3-4-9)6-2-5-11-12-10/h9H,2-8H2,1H3.
What are the key properties of N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine?
N-(3-azidopropyl)-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 198.27 g/mol, XLogP of 1.80, 8 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-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 61452046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).