[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine

C9H17N5 — CID 126633038

IUPAC[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine
SMILESC=C(CN=[N+]=[N-])N1CCC(CN)CC1
InChIInChI=1S/C9H17N5/c1-8(7-12-13-11)14-4-2-9(6-10)3-5-14/h9H,1-7,10H2
InChIKeyQHCHZJQAYGMZJJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds4

About [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine

[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine (PubChem CID 126633038) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine
PubChem CID126633038
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine
SMILESC=C(CN=[N+]=[N-])N1CCC(CN)CC1
InChIInChI=1S/C9H17N5/c1-8(7-12-13-11)14-4-2-9(6-10)3-5-14/h9H,1-7,10H2
InChIKeyQHCHZJQAYGMZJJ-UHFFFAOYSA-N
XLogP1.48
TPSA78.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine (CID 126633038) is [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine is C=C(CN=[N+]=[N-])N1CCC(CN)CC1.
What is the InChIKey of [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine?
The InChIKey is QHCHZJQAYGMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-8(7-12-13-11)14-4-2-9(6-10)3-5-14/h9H,1-7,10H2.
What are the key properties of [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine?
[1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azidoprop-1-en-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 126633038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).