1-azido-5-ethyl-5-methylheptane

C10H21N3 — CID 151097241

IUPAC1-azido-5-ethyl-5-methylheptane
SMILESCCC(C)(CC)CCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-4-10(3,5-2)8-6-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyMNJGNNOHSMHRHO-UHFFFAOYSA-N
MW183.30 g/mol
LogP4.29
Rot. Bonds7

About 1-azido-5-ethyl-5-methylheptane

1-azido-5-ethyl-5-methylheptane (PubChem CID 151097241) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-azido-5-ethyl-5-methylheptane.

Molecular Properties

Compound Name1-azido-5-ethyl-5-methylheptane
PubChem CID151097241
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-azido-5-ethyl-5-methylheptane
SMILESCCC(C)(CC)CCCCN=[N+]=[N-]
InChIInChI=1S/C10H21N3/c1-4-10(3,5-2)8-6-7-9-12-13-11/h4-9H2,1-3H3
InChIKeyMNJGNNOHSMHRHO-UHFFFAOYSA-N
XLogP4.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-azido-5-ethyl-5-methylheptane?
The IUPAC name of 1-azido-5-ethyl-5-methylheptane (CID 151097241) is 1-azido-5-ethyl-5-methylheptane.
What is the SMILES notation for 1-azido-5-ethyl-5-methylheptane?
The canonical SMILES for 1-azido-5-ethyl-5-methylheptane is CCC(C)(CC)CCCCN=[N+]=[N-].
What is the InChIKey of 1-azido-5-ethyl-5-methylheptane?
The InChIKey is MNJGNNOHSMHRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(3,5-2)8-6-7-9-12-13-11/h4-9H2,1-3H3.
What are the key properties of 1-azido-5-ethyl-5-methylheptane?
1-azido-5-ethyl-5-methylheptane has a molecular weight of 183.30 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-5-ethyl-5-methylheptane is sourced from PubChem (CID 151097241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).