N-(1-azidoethyl)furan-2-amine

C6H8N4O — CID 175019842

IUPACN-(1-azidoethyl)furan-2-amine
SMILESCC(N=[N+]=[N-])Nc1ccco1
InChIInChI=1S/C6H8N4O/c1-5(9-10-7)8-6-3-2-4-11-6/h2-5,8H,1H3
InChIKeyQCMQUROXVJYTLW-UHFFFAOYSA-N
MW152.16 g/mol
LogP2.35
Rot. Bonds3

About N-(1-azidoethyl)furan-2-amine

N-(1-azidoethyl)furan-2-amine (PubChem CID 175019842) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-(1-azidoethyl)furan-2-amine.

Molecular Properties

Compound NameN-(1-azidoethyl)furan-2-amine
PubChem CID175019842
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-(1-azidoethyl)furan-2-amine
SMILESCC(N=[N+]=[N-])Nc1ccco1
InChIInChI=1S/C6H8N4O/c1-5(9-10-7)8-6-3-2-4-11-6/h2-5,8H,1H3
InChIKeyQCMQUROXVJYTLW-UHFFFAOYSA-N
XLogP2.35
TPSA73.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 52.35
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

(S)-azido(furan-2-yl)methanol
CID 135057123
(3S,4S)-3-azido-4-(furan-2-yl)-4-hydroxybutan-2-one
CID 102234725
2-(1-diazopropan-2-yl)furan
CID 119087241
(2S)-2-(furan-2-ylamino)-3-hydroxypropanoic acid
CID 504251
propan-2-yl N-(furan-2-yl)carbamate
CID 12774670
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
1,1-diazidoethane
CID 57220591
(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737
1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63833258
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040

Frequently Asked Questions

What is the IUPAC name of N-(1-azidoethyl)furan-2-amine?
The IUPAC name of N-(1-azidoethyl)furan-2-amine (CID 175019842) is N-(1-azidoethyl)furan-2-amine.
What is the SMILES notation for N-(1-azidoethyl)furan-2-amine?
The canonical SMILES for N-(1-azidoethyl)furan-2-amine is CC(N=[N+]=[N-])Nc1ccco1.
What is the InChIKey of N-(1-azidoethyl)furan-2-amine?
The InChIKey is QCMQUROXVJYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-5(9-10-7)8-6-3-2-4-11-6/h2-5,8H,1H3.
What are the key properties of N-(1-azidoethyl)furan-2-amine?
N-(1-azidoethyl)furan-2-amine has a molecular weight of 152.16 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azidoethyl)furan-2-amine is sourced from PubChem (CID 175019842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).