3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

C10H16N4O — CID 61396861

IUPAC3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(C)CCCN=[N+]=[N-])o1
InChIInChI=1S/C10H16N4O/c1-9-4-5-10(15-9)8-14(2)7-3-6-12-13-11/h4-5H,3,6-8H2,1-2H3
InChIKeyIZRFWGAAUIFHHY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.72
Rot. Bonds6

About 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine

3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 61396861) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID61396861
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(C)CCCN=[N+]=[N-])o1
InChIInChI=1S/C10H16N4O/c1-9-4-5-10(15-9)8-14(2)7-3-6-12-13-11/h4-5H,3,6-8H2,1-2H3
InChIKeyIZRFWGAAUIFHHY-UHFFFAOYSA-N
XLogP2.72
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.72
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'}

Analyze 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
CID 61426945
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
CID 82854049
4-[methyl-[(5-methylfuran-2-yl)methyl]amino]butanethioamide
CID 43526322
3-(4-chlorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 167812715
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 62559645
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 61396861) is 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CN(C)CCCN=[N+]=[N-])o1.
What is the InChIKey of 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is IZRFWGAAUIFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-4-5-10(15-9)8-14(2)7-3-6-12-13-11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 208.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61396861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).