1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide

C9H17N5O — CID 66189857

IUPAC1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(NCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H17N5O/c1-7-3-2-4-9(7,8(10)15)12-5-6-13-14-11/h7,12H,2-6H2,1H3,(H2,10,15)
InChIKeyBMUQDSQSOVHOES-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.93
Rot. Bonds5

About 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide

1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide (PubChem CID 66189857) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide
PubChem CID66189857
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1(NCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H17N5O/c1-7-3-2-4-9(7,8(10)15)12-5-6-13-14-11/h7,12H,2-6H2,1H3,(H2,10,15)
InChIKeyBMUQDSQSOVHOES-UHFFFAOYSA-N
XLogP0.93
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide (CID 66189857) is 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide is CC1CCCC1(NCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide?
The InChIKey is BMUQDSQSOVHOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7-3-2-4-9(7,8(10)15)12-5-6-13-14-11/h7,12H,2-6H2,1H3,(H2,10,15).
What are the key properties of 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide?
1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylamino)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 66189857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).