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

C10H16N4O — CID 61426945

IUPAC3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCc1occc1CN(C)CCCN=[N+]=[N-]
InChIInChI=1S/C10H16N4O/c1-9-10(4-7-15-9)8-14(2)6-3-5-12-13-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyIMDSJCRWQLTQMS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.72
Rot. Bonds6

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

3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 61426945) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID61426945
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCc1occc1CN(C)CCCN=[N+]=[N-]
InChIInChI=1S/C10H16N4O/c1-9-10(4-7-15-9)8-14(2)6-3-5-12-13-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyIMDSJCRWQLTQMS-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'}

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Related Compounds

N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 61396861
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
5-amino-1-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]pyridin-2-one
CID 61426276
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine (CID 61426945) is 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine is Cc1occc1CN(C)CCCN=[N+]=[N-].
What is the InChIKey of 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is IMDSJCRWQLTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-10(4-7-15-9)8-14(2)6-3-5-12-13-11/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine?
3-azido-N-methyl-N-[(2-methylfuran-3-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-[(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 61426945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).