2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

C9H19N5 — CID 63273734

IUPAC2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCN=[N+]=[N-])CC1CCN(C)C1
InChIInChI=1S/C9H19N5/c1-13-5-3-9(7-13)8-14(2)6-4-11-12-10/h9H,3-8H2,1-2H3
InChIKeyZSFZDPYXXHXDIB-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.18
Rot. Bonds5

About 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 63273734) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID63273734
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCN=[N+]=[N-])CC1CCN(C)C1
InChIInChI=1S/C9H19N5/c1-13-5-3-9(7-13)8-14(2)6-4-11-12-10/h9H,3-8H2,1-2H3
InChIKeyZSFZDPYXXHXDIB-UHFFFAOYSA-N
XLogP1.18
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
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

2-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 63236562
3-azido-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 63236521
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-one
CID 63273547
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64759351

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 63273734) is 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is CN(CCN=[N+]=[N-])CC1CCN(C)C1.
What is the InChIKey of 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is ZSFZDPYXXHXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-13-5-3-9(7-13)8-14(2)6-4-11-12-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 197.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 63273734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).